KEGG   DRUG: Ibuprofen
Entry
D00126                      Drug                                   
Name
Ibuprofen (JP18/USP/INN);
Advil (TN);
Motrin (TN)
Product
CALDOLOR (Cumberland Pharmaceuticals)
  Generic
IBU (Aphena Pharma Solutions - Tennessee), IBU (Aphena Pharma Solutions - Tennessee), IBU (Aphena Pharma Solutions - Tennessee), IBU (Dr. Reddy's Laboratories Limited), IBU (Golden State Medical Supply), IBU (Lake Erie Medical DBA Quality Care Products LLC), IBU (Medsource Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBU (Proficient Rx LP), IBU (Proficient Rx LP), IBU (RedPharm Drug), IBU (RedPharm Drug), IBU (RedPharm Drug), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (A-S Medication Solutions), IBUPROFEN (Actavis Pharma), IBUPROFEN (Advanced Rx Pharmacy of Tennessee), IBUPROFEN (Advanced Rx Pharmacy of Tennessee), IBUPROFEN (Advanced Rx Pharmacy of Tennessee), IBUPROFEN (Advanced Rx of Tennessee), IBUPROFEN (Advanced Rx of Tennessee), IBUPROFEN (Advanced Rx of Tennessee), IBUPROFEN (Advanced Rx of Tennessee), IBUPROFEN (Advanced Rx of Tennessee), IBUPROFEN (American Health Packaging), IBUPROFEN (Amneal Pharmaceuticals LLC), IBUPROFEN (Amneal Pharmaceuticals NY LLC), IBUPROFEN (Amneal Pharmaceuticals of New York LLC), IBUPROFEN (Amneal Pharmaceuticals of New York LLC), IBUPROFEN (Amneal Pharmaceuticals of New York LLC), IBUPROFEN (Amneal Pharmaceuticals of New York LLC), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Ascend Laboratories), IBUPROFEN (Asclemed USA), IBUPROFEN (Asclemed USA), IBUPROFEN (Aurobindo Pharma Limited), IBUPROFEN (Aurobindo Pharma Limited), IBUPROFEN (Brisk Pharmaceuticals), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Bryant Ranch Prepack), IBUPROFEN (Cardinal Health 107), IBUPROFEN (Chartwell RX), IBUPROFEN (Coupler LLC), IBUPROFEN (Coupler LLC), IBUPROFEN (Coupler LLC), IBUPROFEN (DIRECT RX), IBUPROFEN (Direct Rx), IBUPROFEN (Direct_Rx), IBUPROFEN (Direct_rx), IBUPROFEN (EXELAN PHARMACEUTICALS), IBUPROFEN (Florida Pharmaceutical Products), IBUPROFEN (Granules India Limited), IBUPROFEN (Kesin Pharma Corporation), IBUPROFEN (Legacy Pharmaceutical Packaging), IBUPROFEN (MARKSANS PHARMA LIMITED), IBUPROFEN (Major Pharmaceuticals), IBUPROFEN (NCS HealthCare of KY), IBUPROFEN (NCS HealthCare of KY), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (PD-Rx Pharmaceuticals), IBUPROFEN (Padagis Israel Pharmaceuticals), IBUPROFEN (PharmPak), IBUPROFEN (PharmPak), IBUPROFEN (PharmPak), IBUPROFEN (Pharmasource Meds), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Preferred Pharmaceuticals), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (QPharma), IBUPROFEN (QPharma), IBUPROFEN (Quality Care Products LLC), IBUPROFEN (Quality Care Products), IBUPROFEN (Quality Care Products), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (REMEDYREPACK), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (RedPharm Drug), IBUPROFEN (Redpharm Drug), IBUPROFEN (Redpharm Drug), IBUPROFEN (Redpharm Drug), IBUPROFEN (Redpharm Drug), IBUPROFEN (SKYA HEALTH), IBUPROFEN (SOLA Pharmaceuticals), IBUPROFEN (ST. MARY'S MEDICAL PARK PHARMACY), IBUPROFEN (St. Mary's Medical Park Pharmacy), IBUPROFEN (St. Mary's Medical Park Pharmacy), IBUPROFEN (St. Mary's Medical Park Pharmacy), IBUPROFEN (St. Mary's Medical Park Pharmacy), IBUPROFEN (Strides Pharma Science Limited), IBUPROFEN (Strides Pharma Science Limited), IBUPROFEN (Strides Pharma), IBUPROFEN (Sunshine Lake Pharma), IBUPROFEN (TIME CAP LABORATORIES), IBUPROFEN (Taro Pharmaceuticals U.S.A.), IBUPROFEN (Taro Pharmaceuticals U.S.A.), IBUPROFEN (Westminster Pharmaceuticals)
Formula
C13H18O2
Exact mass
206.1307
Mol weight
206.28
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
Same as: C01588
Therapeutic category: 1149
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Product (mixture): D02152<US> D11575<US> D11897<US>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07048  Antimigraines
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D00126  Ibuprofen (JP18/USP/INN) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D00126  Ibuprofen (JP18/USP/INN) <JP/US>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D00126  Ibuprofen (JP18/USP/INN) <JP/US>
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D00126  Ibuprofen (JP18/USP/INN) <JP/US>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparations
     R02AX02 Ibuprofen
      D00126  Ibuprofen (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Ibuprofen
    D00126  Ibuprofen (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1149  Others
     D00126  Ibuprofen (JP18/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  01 Cold remedy (oral use)
   D00126  Ibuprofen (JP18/USP/INN)
  03 Antipyretic analgesic agents
   D00126  Ibuprofen (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Ibuprofen
    D00126  Ibuprofen (JP18/USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ibuprofen
    D00126  Ibuprofen (JP18/USP/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
     D00126  Ibuprofen
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
    D00126  Ibuprofen
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D00126  Ibuprofen
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00126  Ibuprofen (JP18/USP/INN) <JP/US>
    PTGS2 (COX2)
     D00126  Ibuprofen (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00126  Ibuprofen
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00126
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00126
Prodrugs [br08324.html]
 D00126
Rx-to-OTC switch list in the USA [br08315.html]
 D00126
Rx-to-OTC switch list in Japan [br08314.html]
 D00126
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
Other DBs
CAS: 15687-27-1
PubChem: 7847194
ChEBI: 5855
LigandBox: D00126
NIKKAJI: J3.134H
LinkDB
KCF data

ATOM        15
            1   O6a O    26.6164  -16.3136
            2   C6a C    25.4050  -17.0138
            3   C1c C    24.1928  -16.3148
            4   O6a O    25.4056  -18.4130
            5   C8y C    22.9815  -17.0150
            6   C8x C    21.7750  -16.3132
            7   C8x C    20.5638  -17.0135
            8   C8y C    20.5644  -18.4127
            9   C8x C    21.7765  -19.1116
            10  C8x C    22.9878  -18.4113
            11  C1b C    19.3530  -19.1128
            12  C1c C    18.1408  -18.4139
            13  C1a C    16.9295  -19.1141
            14  C1a C    18.1401  -17.0147
            15  C1a C    24.1920  -14.9103
BOND        15
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1

» Japanese version   » Back

KEGG   DRUG: Ibuprofen piconol
Entry
D01122                      Drug                                   
Name
Ibuprofen piconol (JP18/USAN);
Staderm (TN)
Formula
C19H23NO2
Exact mass
297.1729
Mol weight
297.39
Structure
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Dermatological agent
 DG03243  Atopic dermatitis agent
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
Therapeutic category: 2649
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Propionic acid derivative
Active form of prodrug: Ibuprofen [DR:D00126]
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07048  Antimigraines
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D01122  Ibuprofen piconol (JP18/USAN) <JP>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D01122  Ibuprofen piconol (JP18/USAN) <JP>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D01122  Ibuprofen piconol (JP18/USAN) <JP>
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D01122  Ibuprofen piconol (JP18/USAN) <JP>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparations
     R02AX02 Ibuprofen
      D01122  Ibuprofen piconol (JP18/USAN) <JP>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Ibuprofen
    D01122  Ibuprofen piconol (JP18/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2649  Others
     D01122  Ibuprofen piconol (JP18/USAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  56 Purulent skin remedies
   D01122  Ibuprofen piconol (JP18/USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ibuprofen piconol
    D01122  Ibuprofen piconol (JP18/USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
     D01122  Ibuprofen piconol
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D01122  Ibuprofen piconol
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
    D01122  Ibuprofen piconol
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D01122  Ibuprofen piconol
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D01122  Ibuprofen piconol
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01122  Ibuprofen piconol (JP18/USAN) <JP>
    PTGS2 (COX2)
     D01122  Ibuprofen piconol (JP18/USAN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01122  Ibuprofen piconol ointment
  D01122  Ibuprofen piconol cream
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01122
Prodrugs [br08324.html]
 D01122
Rx-to-OTC switch list in Japan [br08314.html]
 D01122
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
Other DBs
CAS: 112017-99-9
PubChem: 7848185
ChEBI: 31685
LigandBox: D01122
LinkDB
KCF data

ATOM        22
            1   C8x C    30.7421  -16.2559
            2   C8y C    30.7421  -17.6563
            3   N5x N    31.9578  -18.3565
            4   C8x C    33.1663  -17.6563
            5   C8x C    33.1663  -16.2559
            6   C8x C    31.9578  -15.5557
            7   C1b C    29.5296  -18.3570
            8   O7a O    28.3166  -17.6575
            9   C7a C    27.1042  -18.3583
            10  C1c C    25.8910  -17.6587
            11  O6a O    27.1048  -19.7587
            12  C8y C    24.6787  -18.3595
            13  C8x C    23.4712  -17.6571
            14  C8x C    22.2589  -18.3580
            15  C8y C    22.2595  -19.7584
            16  C8x C    23.4727  -20.4579
            17  C8x C    24.6850  -19.7570
            18  C1b C    21.0471  -20.4591
            19  C1c C    19.8339  -19.7596
            20  C1a C    18.6216  -20.4604
            21  C1a C    19.8332  -18.3592
            22  C1a C    25.8903  -16.2583
BOND        23
            1     9  11 2
            2     5   6 2
            3    10  12 1
            4     6   1 1
            5     2   7 1
            6     1   2 2
            7     7   8 1
            8    12  13 2
            9    13  14 1
            10   14  15 2
            11   15  16 1
            12   16  17 2
            13   17  12 1
            14    2   3 1
            15   15  18 1
            16    8   9 1
            17   18  19 1
            18    3   4 2
            19   19  20 1
            20    9  10 1
            21   19  21 1
            22    4   5 1
            23   10  22 1

» Japanese version   » Back

KEGG   DRUG: Ibuprofen aluminum
Entry
D04490                      Drug                                   
Name
Ibuprofen aluminum (USAN)
Formula
C26H35AlO5
Exact mass
454.2300
Mol weight
454.53
Structure
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Efficacy
Anti-inflammatory, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D04490  Ibuprofen aluminum (USAN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D04490  Ibuprofen aluminum (USAN)
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D04490  Ibuprofen aluminum (USAN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D04490  Ibuprofen aluminum (USAN)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparations
     R02AX02 Ibuprofen
      D04490  Ibuprofen aluminum (USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
     D04490  Ibuprofen aluminum
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
    D04490  Ibuprofen aluminum
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D04490  Ibuprofen aluminum (USAN)
    PTGS2 (COX2)
     D04490  Ibuprofen aluminum (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04490
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
Other DBs
CAS: 61054-06-6
PubChem: 47206338
NIKKAJI: J14.679J
LinkDB
KCF data

ATOM        32
            1   O7a O    27.5800   -8.1200
            2   C7a C    26.3900   -8.8200
            3   C1c C    25.2000   -8.1200
            4   O6a O    26.3900  -10.2200
            5   C8y C    24.0100   -8.8200
            6   C8x C    22.7500   -8.1200
            7   C8x C    21.5600   -8.8200
            8   C8y C    21.5600  -10.2200
            9   C8x C    22.7500  -10.9200
            10  C8x C    24.0100  -10.2200
            11  C1b C    20.3700  -10.9200
            12  C1c C    19.1100  -10.2200
            13  C1a C    17.9200  -10.9200
            14  C1a C    19.1100   -8.8200
            15  C1a C    25.2000   -6.7200
            16  Z   Al   28.7981   -8.8101
            17  O7a O    30.2400   -8.1900
            18  C7a C    31.4300   -8.8900
            19  C1c C    32.6200   -8.1900
            20  O6a O    31.4300  -10.2900
            21  C8y C    33.8100   -8.8900
            22  C8x C    35.0700   -8.1900
            23  C8x C    36.2600   -8.8900
            24  C8y C    36.2600  -10.2900
            25  C8x C    35.0700  -10.9900
            26  C8x C    33.8100  -10.2900
            27  C1b C    37.4500  -10.9900
            28  C1c C    38.7100  -10.2900
            29  C1a C    39.9000  -10.9900
            30  C1a C    38.7100   -8.8900
            31  C1a C    32.6200   -6.7900
            32  O1a O    28.7912  -10.2191
BOND        33
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1
            16    1  16 1
            17   18  20 2
            18   19  21 1
            19   21  22 2
            20   22  23 1
            21   23  24 2
            22   24  25 1
            23   25  26 2
            24   26  21 1
            25   24  27 1
            26   17  18 1
            27   27  28 1
            28   28  29 1
            29   18  19 1
            30   28  30 1
            31   19  31 1
            32   16  17 1
            33   16  32 1

» Japanese version   » Back

KEGG   DRUG: Ibuprofen lysine
Entry
D06606                      Drug                                   
Name
Ibuprofen lysine (USAN);
Ibuprofen L-lysine (JAN);
Solufenum;
Neoprofen (TN)
Product
NEOPROFEN (Recordati Rare Diseases)
  Generic
IBUPROFEN LYSINE (Prasco Laboratories), IBUPROFEN LYSINE (XGen Pharmaceuticals DJB)
Formula
C13H18O2. C6H14N2O2
Exact mass
352.2362
Mol weight
352.47
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
Therapeutic category: 2190
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Efficacy
Anti-inflammatory, COX inhibitor
  Disease
Patent ductus arteriosus [DS:H01630]
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07048  Antimigraines
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparations
     R02AX02 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Ibuprofen
    D06606  Ibuprofen lysine (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D06606  Ibuprofen lysine (USAN); Ibuprofen L-lysine (JAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
     D06606  Ibuprofen lysine
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
    D06606  Ibuprofen lysine
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D06606  Ibuprofen lysine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D06606  Ibuprofen lysine (USAN) <JP/US>
    PTGS2 (COX2)
     D06606  Ibuprofen lysine (USAN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D06606
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06606
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
Other DBs
CAS: 57469-77-9
PubChem: 47208257
LigandBox: D06606
NIKKAJI: J300.133D
LinkDB
KCF data

ATOM        25
            1   O6a O    20.3332   -6.2439
            2   C6a C    19.1211   -6.9446
            3   C1c C    17.9081   -6.2451
            4   O6a O    19.1217   -8.3447
            5   C8y C    16.6960   -6.9458
            6   C8x C    15.4888   -6.2435
            7   C8x C    14.2768   -6.9443
            8   C8y C    14.2774   -8.3444
            9   C8x C    15.4903   -9.0437
            10  C8x C    16.7023   -8.3429
            11  C1b C    13.0652   -9.0449
            12  C1c C    11.8523   -8.3456
            13  C1a C    10.6402   -9.0462
            14  C1a C    11.8516   -6.9455
            15  C1a C    17.9073   -4.8397
            16  C1c C    25.1750   -7.3860
            17  C1b C    26.3902   -6.7082
            18  C6a C    24.0241   -6.6381
            19  N1a N    25.2159   -8.7940
            20  C1b C    27.5997   -7.4211
            21  O6a O    22.7971   -7.3218
            22  O6a O    24.0240   -5.2357
            23  C1b C    28.8269   -6.7373
            24  C1b C    30.0364   -7.4562
            25  N1a N    31.2633   -6.7724
BOND        24
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1
            16   16  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   18  21 1
            21   18  22 2
            22   20  23 1
            23   23  24 1
            24   24  25 1

» Japanese version   » Back

KEGG   DRUG: Ibuprofen arginine salt
Entry
D08058                      Drug                                   
Name
Ibuprofen arginine salt;
Zafen (TN)
Formula
C13H18O2. C6H14N4O2
Exact mass
380.2424
Mol weight
380.48
Structure
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D08058  Ibuprofen arginine salt
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D08058  Ibuprofen arginine salt
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D08058  Ibuprofen arginine salt
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D08058  Ibuprofen arginine salt
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparations
     R02AX02 Ibuprofen
      D08058  Ibuprofen arginine salt
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
     D08058  Ibuprofen arginine salt
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
    D08058  Ibuprofen arginine salt
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08058  Ibuprofen arginine salt
    PTGS2 (COX2)
     D08058  Ibuprofen arginine salt
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08058
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
Other DBs
PubChem: 96024750
LigandBox: D08058
LinkDB
KCF data

ATOM        27
            1   O6a O    24.3600  -17.6400
            2   C6a C    23.1700  -18.3400
            3   C1c C    21.9800  -17.6400
            4   O6a O    23.1700  -19.7400
            5   C8y C    20.7900  -18.3400
            6   C8x C    19.5300  -17.6400
            7   C8x C    18.3400  -18.3400
            8   C8y C    18.3400  -19.7400
            9   C8x C    19.5300  -20.4400
            10  C8x C    20.7900  -19.7400
            11  C1b C    17.1500  -20.4400
            12  C1c C    15.8900  -19.7400
            13  C1a C    14.7000  -20.4400
            14  C1a C    15.8900  -18.3400
            15  C1a C    21.9800  -16.2400
            16  N1a N    37.1000  -18.9000
            17  C2c C    35.8400  -18.2000
            18  N1b N    34.6500  -18.9000
            19  C1b C    33.4600  -18.2000
            20  C1b C    32.2000  -18.9000
            21  C1b C    31.0100  -18.2000
            22  C1c C    29.8200  -18.9000
            23  C6a C    28.5600  -18.2000
            24  N2a N    35.8400  -16.8000
            25  N1a N    29.8200  -20.3000
            26  O6a O    27.3700  -18.9000
            27  O6a O    28.5600  -16.8000
BOND        26
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   17  24 2
            24   22  25 1 #Down
            25   23  26 1
            26   23  27 2

» Japanese version   » Back

KEGG   DRUG: Ibuprofen sodium
Entry
D08059                      Drug                                   
Name
Ibuprofen sodium;
Ibuprofen sodium anhydrous;
Esprenit (TN)
Formula
C13H17O2. Na
Exact mass
228.1126
Mol weight
228.26
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D08059  Ibuprofen sodium
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D08059  Ibuprofen sodium
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D08059  Ibuprofen sodium
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D08059  Ibuprofen sodium
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparations
     R02AX02 Ibuprofen
      D08059  Ibuprofen sodium
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
     D08059  Ibuprofen sodium
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
    D08059  Ibuprofen sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08059  Ibuprofen sodium
    PTGS2 (COX2)
     D08059  Ibuprofen sodium
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08059
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00245  Ibuprofen
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00245  Ibuprofen
Other DBs
CAS: 31121-93-4
PubChem: 96024751
LigandBox: D08059
NIKKAJI: J27.647B
LinkDB
KCF data

ATOM        16
            1   O6a O    28.9800  -17.2200 #-
            2   C6a C    27.7900  -17.9200
            3   C1c C    26.6000  -17.2200
            4   O6a O    27.7900  -19.3200
            5   C8y C    25.4100  -17.9200
            6   C8x C    24.1500  -17.2200
            7   C8x C    22.9600  -17.9200
            8   C8y C    22.9600  -19.3200
            9   C8x C    24.1500  -20.0200
            10  C8x C    25.4100  -19.3200
            11  C1b C    21.7700  -20.0200
            12  C1c C    20.5100  -19.3200
            13  C1a C    19.3200  -20.0200
            14  C1a C    20.5100  -17.9200
            15  C1a C    26.6000  -15.8200
            16  Z   Na   31.7800  -18.6200 #+
BOND        15
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1

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