KEGG   DRUG: Diclofenac diethylamine
Entry
D07817                      Drug                                   

Name
Diclofenac diethylamine;
Voltaren Emulgel (TN)
Formula
C14H11Cl2NO2. C4H11N
Exact mass
368.1058
Mol weight
369.2855
Structure
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
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]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX18 Diclofenac
      D07817  Diclofenac diethylamine
 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
      D07817  Diclofenac diethylamine
  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
      D07817  Diclofenac diethylamine
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC03 Diclofenac
      D07817  Diclofenac diethylamine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07817  Diclofenac diethylamine
    PTGS2 (COX2)
     D07817  Diclofenac diethylamine
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07817
 Drug transporters
  D07817
Other DBs
CAS: 78213-16-8
PubChem: 96024514
LigandBox: D07817
NIKKAJI: J667.660J
LinkDB
KCF data

ATOM        24
            1   C8x C    15.4000  -19.3200
            2   C8x C    15.4000  -20.7200
            3   C8x C    16.5900  -21.4200
            4   C8x C    17.7800  -20.7200
            5   C8y C    17.7800  -19.3200
            6   C8y C    16.5900  -18.6200
            7   C1b C    19.0400  -18.6200
            8   C6a C    20.2300  -19.2500
            9   O6a O    21.4200  -18.6200
            10  O6a O    20.2300  -20.7200
            11  N1b N    16.5900  -17.2200
            12  C8y C    15.3300  -16.5200
            13  C8y C    15.3300  -15.1200
            14  C8x C    14.1400  -14.4200
            15  C8x C    12.9500  -15.1200
            16  C8x C    12.9500  -16.5200
            17  C8y C    14.1400  -17.2200
            18  X   Cl   16.5900  -14.4200
            19  X   Cl   14.1400  -18.6200
            20  C1a C    26.8100  -17.9200
            21  C1b C    28.0224  -17.2200
            22  N1b N    29.2349  -17.9200
            23  C1b C    30.4473  -17.2200
            24  C1a C    31.6597  -17.9200
BOND        24
            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
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1

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