KEGG   DRUG: Diclofenac
Entry
D07816                      Drug                                   
Name
Diclofenac (USAN/INN);
Solaraze (TN);
Zorvolex (TN)
Formula
C14H11Cl2NO2
Exact mass
295.0167
Mol weight
296.1486
Structure
Simcomp
Class
Anti-inflammatory
 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 inhibitor
Remark
Same as: C01690
ATC code: D11AX18 M01AB05 M02AA15 S01BC03
Chemical structure group: DG00441
Product (DG00441): 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]
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)
 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)
  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)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC03 Diclofenac
      D07816  Diclofenac (USAN/INN)
USP drug classification [BR:br08302]
 Analgesics
  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)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
     DG00441  Diclofenac
      D07816  Diclofenac
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00441  Diclofenac
    D07816  Diclofenac
 Transporter inhibitor
  DG02866  SLC22A8 inhibitor
   DG00441  Diclofenac
    D07816  Diclofenac
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D07816  Diclofenac
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07816  Diclofenac (USAN/INN)
    PTGS2 (COX2)
     D07816  Diclofenac (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07816
 Drug transporters
  D07816
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
     DG00441  Diclofenac
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00441  Diclofenac
 Transporter inhibitor
  DG02866  SLC22A8 inhibitor
   DG00441  Diclofenac
Other DBs
CAS: 15307-86-5
PubChem: 96024513
ChEBI: 47381
PDB-CCD: DIF[PDBj]
LigandBox: D07816
NIKKAJI: J8.557J
KCF data

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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Ontology (7)   
   KEGG BRITE (7)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (7)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (21)   

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