KEGG   DRUG: Ibuprofen piconol
Entry
D01122                      Drug                                   
Name
Ibuprofen piconol (JP18/USAN);
Staderm (TN)
Formula
C19H23NO2
Exact mass
297.1729
Mol weight
297.3914
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

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