KEGG   DRUG: DiclofenacHelp
Entry
D07816                      Drug                                   

Name
Diclofenac (USAN/INN);
Solaraze (TN);
Zorvolex (TN)
Product
Formula
C14H11Cl2NO2
Exact mass
295.0167
Mol weight
296.1486
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01906  Anti-inflammatory drug, acetic acid derivatives
  DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Transporter inhibitor
 DG02866  SLC22A8 (OAT3) inhibitor
Remark
Same as: C01690
ATC code: D11AX18 M01AB05 M02AA15 S01BC03
Chemical structure group: DG00441
Product (DG00441): D07816<US> D00903<US> D00904<JP/US> D07818<US>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Transporter inhibition: SLC22A8 [HSA:9376]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX18 Diclofenac
      D07816  Diclofenac (USAN/INN) <US>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB05 Diclofenac
      D07816  Diclofenac (USAN/INN) <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
     M02AA15 Diclofenac
      D07816  Diclofenac (USAN/INN) <US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC03 Diclofenac
      D07816  Diclofenac (USAN/INN) <US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Diclofenac
    D07816  Diclofenac (USAN/INN)
 Anti-inflammatory Agents
  Nonsteroidal Anti-inflammatory Drugs
   Diclofenac
    D07816  Diclofenac (USAN/INN)
 Dermatological Agents
  Dermatological Agents, Other
   Warts and Actinic Keratosis Agents
    Diclofenac
     D07816  Diclofenac (USAN/INN)
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Nonsteroidal Anti-Inflammatory Drugs, Ophthalmic
    Diclofenac
     D07816  Diclofenac (USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Diclofenac
    D07816  Diclofenac (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07816  Diclofenac (USAN/INN) <US>
    PTGS2 (COX2)
     D07816  Diclofenac (USAN/INN) <US>
BRITE hierarchy
Other DBs
CAS: 15307-86-5
PubChem: 96024513
ChEBI: 47381
ChEMBL: CHEMBL139
DrugBank: DB00586
PDB-CCD: DIF[PDBj]
LigandBox: D07816
NIKKAJI: J8.557J
KCF data Show

ATOM        19
            1   C8x C    22.4000  -19.3200
            2   C8x C    22.4000  -20.7200
            3   C8x C    23.5900  -21.4200
            4   C8x C    24.7800  -20.7200
            5   C8y C    24.7800  -19.3200
            6   C8y C    23.5900  -18.6200
            7   C1b C    26.0400  -18.6200
            8   C6a C    27.2300  -19.2500
            9   O6a O    28.4200  -18.6200
            10  O6a O    27.2300  -20.7200
            11  N1b N    23.5900  -17.2200
            12  C8y C    22.3300  -16.5200
            13  C8y C    22.3300  -15.1200
            14  C8x C    21.1400  -14.4200
            15  C8x C    19.9500  -15.1200
            16  C8x C    19.9500  -16.5200
            17  C8y C    21.1400  -17.2200
            18  X   Cl   23.5900  -14.4200
            19  X   Cl   21.1400  -18.6200
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    6  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   13  18 1
            20   17  19 1

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