KEGG   DRUG: Ibuprofen
Entry
D00126                      Drug                                   
Name
Ibuprofen (JP18/USP/INN);
Advil (TN);
Motrin (TN)
Product
  Generic
IBU (RedPharm Drug), IBU (RedPharm Drug), IBU (RedPharm Drug), IBUPROFEN (DIRECT RX), IBUPROFEN (Direct_Rx), IBUPROFEN (A-S Medication Solutions), IBU (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), IBU (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), IBU (A-S Medication Solutions), IBU (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 Pharmacy of Tennessee), IBUPROFEN (Advanced Rx Pharmacy of Tennessee), IBUPROFEN (AiPing Pharmaceutical), IBUPROFEN (AiPing Pharmaceutical), 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), IBU (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), IBU (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Aphena Pharma Solutions - Tennessee), IBU (Aphena Pharma Solutions - Tennessee), IBUPROFEN (Ascend Laboratories), IBUPROFEN (Aurobindo Pharma Limited), IBUPROFEN (AvKARE), IBUPROFEN (AvKARE), IBUPROFEN (AvKARE), 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 (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), IBUPROFEN (Cardinal Health), IBUPROFEN (Chartwell RX), IBUPROFEN (DIRECT RX), IBUPROFEN (DIRECTRX), IBUPROFEN (Denton Pharma), IBUPROFEN (Denton Pharma), IBUPROFEN (Denton Pharma), IBU (Denton Pharma), IBUPROFEN (Direct Rx), IBUPROFEN (Direct_Rx), IBUPROFEN (Direct_Rx), IBUPROFEN (Direct_Rx), IBUPROFEN (Direct_Rx), IBU (Dr. Reddy's Laboratories Limited), IBUPROFEN (ECI PHARMACEUTICALS LLC), IBUPROFEN (EXELAN PHARMACEUTICALS), IBUPROFEN (Florida Pharmaceutical Products), IBU (Golden State Medical Supply), IBUPROFEN (Granules India Limited), IBU (Lake Erie Medical DBA Quality Care Products LLC), IBU (Lake Erie Medical DBA Quality Care Products LLC), IBUPROFEN (Lake Erie Medical DBA Quality Care Products LLC), IBUPROFEN (Landmark Supply), IBUPROFEN (Legacy Pharmaceutical Packaging), IBUPROFEN (MARKSANS PHARMA LIMITED), IBUPROFEN (Major Pharmaceuticals), IBUPROFEN (Medsource Pharmaceuticals), IBUPROFEN (Medsource Pharmaceuticals), IBUPROFEN (NCS HealthCare of KY), IBUPROFEN (NCS HealthCare of KY), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBUPROFEN (Northwind Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBU (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBU (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 (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticals), IBUPROFEN (NuCare Pharmaceuticalsf), 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 (PINNACLE PHARMA LLC), IBUPROFEN (Padagis Israel Pharmaceuticals), IBUPROFEN (PharmPak), IBUPROFEN (PharmPak), IBUPROFEN (PharmPak), IBUPROFEN (Pharmaceutical Associates), 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), IBU (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBUPROFEN (Proficient Rx LP), IBU (Proficient Rx LP), IBUPROFEN (QPharma), IBUPROFEN (QPharma), IBUPROFEN (QPharma), 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 (RPK Pharmaceuticals), IBU (RPK Pharmaceuticals), IBUPROFEN (RPK Pharmaceuticals), IBU (RPK Pharmaceuticals), 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 (Slate Run 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 (St. Mary's Medical Park Pharmacy), IBUPROFEN (Strides Pharma), IBUPROFEN (Strides Pharma Science Limited), IBUPROFEN (TIME CAP LABORATORIES), IBUPROFEN (Taro Pharmaceuticals U.S.A.), IBUPROFEN (Unit Dose Services), IBUPROFEN (VistaPharm), IBUPROFEN (medsource pharmaceuticals), IBUPROFEN (Aurobindo Pharma Limited), NUDROXIPAK I-800 (NuCare Pharmaceuticals)
Formula
C13H18O2
Exact mass
206.1307
Mol weight
206.2808
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>
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 preparetions
     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: Dexibuprofen
Entry
D03715                      Drug                                   
Name
Dexibuprofen (USAN/INN)
Formula
C13H18O2
Exact mass
206.1307
Mol weight
206.2808
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Remark
ATC code: M01AE14
Chemical structure group: DG00756
Efficacy
Analgesic, 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
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE14 Dexibuprofen
      D03715  Dexibuprofen (USAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00756  Dexibuprofen
     D03715  Dexibuprofen
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D03715  Dexibuprofen (USAN/INN)
    PTGS2 (COX2)
     D03715  Dexibuprofen (USAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00756  Dexibuprofen
Other DBs
CAS: 51146-56-6
PubChem: 17397806
ChEBI: 43415
PDB-CCD: IBP[PDBj]
LigandBox: D03715
NIKKAJI: J384.813B
LinkDB
KCF data

ATOM        15
            1   O6a O    24.1866  -16.6775
            2   C6a C    22.9742  -17.3783
            3   C1c C    21.7610  -16.6787
            4   O6a O    22.9748  -18.7787
            5   C8y C    20.5487  -17.3795
            6   C8x C    19.3412  -16.6771
            7   C8x C    18.1289  -17.3780
            8   C8y C    18.1295  -18.7784
            9   C8x C    19.3427  -19.4779
            10  C8x C    20.5550  -18.7770
            11  C1b C    16.9171  -19.4791
            12  C1c C    15.7039  -18.7796
            13  C1a C    14.4916  -19.4804
            14  C1a C    15.7032  -17.3792
            15  C1a C    21.7601  -15.2600
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 #Down

» Japanese version   » Back

KEGG   DRUG: Dexibuprofen lysine
Entry
D03718                      Drug                                   
Name
Dexibuprofen lysine (USAN);
Dexibuprofen lysine monohydrate;
Doctrin (TN)
Formula
C13H18O2. C6H14N2O2. H2O
Exact mass
370.2468
Mol weight
370.4837
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Remark
ATC code: M01AE14
Chemical structure group: DG00756
Efficacy
Analgesic, 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
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE14 Dexibuprofen
      D03718  Dexibuprofen lysine (USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00756  Dexibuprofen
     D03718  Dexibuprofen lysine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D03718  Dexibuprofen lysine (USAN)
    PTGS2 (COX2)
     D03718  Dexibuprofen lysine (USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01908  Anti-inflammatory drug, propionic acid derivatives
    DG00756  Dexibuprofen
Other DBs
CAS: 141505-32-0
PubChem: 17397809
LigandBox: D03718
LinkDB
KCF data

ATOM        26
            1   O6a O    25.3565  -14.1437
            2   C6a C    24.1451  -14.8439
            3   C1c C    22.9328  -14.1449
            4   O6a O    24.1457  -16.2431
            5   C8y C    21.7215  -14.8451
            6   C8x C    20.5150  -14.1433
            7   C8x C    19.3038  -14.8436
            8   C8y C    19.3044  -16.2428
            9   C8x C    20.5165  -16.9417
            10  C8x C    21.7278  -16.2414
            11  C1b C    18.0930  -16.9429
            12  C1c C    16.8808  -16.2440
            13  C1a C    15.6695  -16.9442
            14  C1a C    16.8801  -14.8448
            15  C1a C    22.9319  -12.7274
            16  C1c C    30.1454  -15.2963
            17  C1b C    31.3606  -14.6185
            18  C6a C    28.9944  -14.5484
            19  N1a N    30.1863  -16.7043
            20  C1b C    32.5701  -15.3314
            21  O6a O    27.7674  -15.2321
            22  O6a O    28.9943  -13.1460
            23  C1b C    33.7973  -14.6476
            24  C1b C    35.0068  -15.3665
            25  N1a N    36.2337  -14.6827
            26  O0  O    36.4001  -17.6401
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 #Down
            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

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KEGG   DRUG: Ibuprofen lysine
Entry
D06606                      Drug                                   
Name
Ibuprofen lysine (USAN);
Ibuprofen L-lysine (JAN);
Solufenum;
Neoprofen (TN)
Product
  Generic
Formula
C13H18O2. C6H14N2O2
Exact mass
352.2362
Mol weight
352.4684
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 preparetions
     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

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