| Entry |
|
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| Name |
Diclofenac diethylamine;
Voltaren Emulgel (TN) |
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| Formula |
C14H11Cl2NO2. C4H11N
|
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| Exact mass |
368.1058
|
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| Mol weight |
369.28
|
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| Structure |
|
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| Simcomp |
|
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| 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
|
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| Remark |
| Product (DG00441): | D00903<US> D00904<JP/US> D07818<US> |
|
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| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor |
|---|
| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP2C9 [HSA: 1559]
|
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| Interaction |
Transporter inhibition: SLC22A8 [HSA: 9376]
|
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| 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
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
D07817 Diclofenac diethylamine
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00441 Diclofenac
D07817 Diclofenac diethylamine
Transporter inhibitor
DG02866 SLC22A8 inhibitor
DG00441 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
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
|
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| Other DBs |
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| LinkDB |
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| 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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