KEGG   DRUG: Diclofenac calcium
Entry
D07819                      Drug                                   

Name
Diclofenac calcium;
Voltaren Actingo Extra (TN)
Formula
C28H20CaCl4N2O4
Exact mass
627.9803
Mol weight
630.3594
Structure
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
      D07819  Diclofenac calcium
 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
      D07819  Diclofenac calcium
  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
      D07819  Diclofenac calcium
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC03 Diclofenac
      D07819  Diclofenac calcium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07819  Diclofenac calcium
    PTGS2 (COX2)
     D07819  Diclofenac calcium
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07819
 Drug transporters
  D07819
Other DBs
CAS: 88170-10-9
PubChem: 96024516
LinkDB
KCF data

ATOM        39
            1   C8x C    21.8400  -30.2400
            2   C8x C    21.8400  -31.5700
            3   C8x C    23.0300  -32.2700
            4   C8x C    24.2900  -31.5700
            5   C8y C    24.2900  -30.2400
            6   C8y C    23.0300  -29.5400
            7   C1b C    25.4800  -29.5400
            8   C7a C    26.6700  -30.1700
            9   O7a O    27.8600  -29.5400
            10  O6a O    26.6700  -31.5700
            11  N1b N    23.0300  -28.0700
            12  C8y C    21.7700  -27.3700
            13  C8y C    21.7700  -25.9700
            14  C8x C    20.5800  -25.2700
            15  C8x C    19.3900  -25.9700
            16  C8x C    19.3900  -27.3700
            17  C8y C    20.5800  -28.0700
            18  X   Cl   23.0300  -25.2700
            19  X   Cl   20.5800  -29.5400
            20  Z   Ca   29.1900  -30.6600
            21  O7a O    30.5200  -29.5400
            22  C8y C    34.1600  -30.2400
            23  C8x C    34.1600  -31.6400
            24  C8x C    35.3500  -32.3400
            25  C8x C    36.6100  -31.6400
            26  C8x C    36.6100  -30.2400
            27  C8y C    35.3500  -29.5400
            28  C1b C    32.9700  -29.5400
            29  C7a C    31.7100  -30.2400
            30  N1b N    35.3500  -28.1400
            31  C8y C    36.6100  -27.4400
            32  C8y C    37.8000  -28.1400
            33  C8x C    39.1300  -27.5100
            34  C8x C    39.0600  -26.1100
            35  C8x C    37.8000  -25.3400
            36  C8y C    36.6100  -26.0400
            37  X   Cl   35.4200  -25.3400
            38  X   Cl   37.8000  -29.5400
            39  O6a O    31.7100  -31.6400
BOND        42
            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    9  20 1
            22   20  21 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   22  28 1
            30   28  29 1
            31   29  21 1
            32   27  30 1
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   31  36 1
            40   36  37 1
            41   32  38 1
            42   29  39 2

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