| Entry |
|
|---|
| Name |
Nimesulide (JAN/INN) |
|---|
| Formula |
C13H12N2O5S
|
|---|
| Exact mass |
308.0467
|
|---|
| Mol weight |
308.3098
|
|---|
| Structure |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, COX-2 inhibitor |
|---|
| Comment |
Sulfonamide derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AX Other antiinflammatory and antirheumatic agents, non-steroids
M01AX17 Nimesulide
D01049 Nimesulide (JAN/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
M02AA26 Nimesulide
D01049 Nimesulide (JAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
D01049 Nimesulide
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D01049 Nimesulide (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 C8y C 25.6724 -16.9148
2 C8x C 25.6724 -18.3147
3 C8y C 26.8886 -19.0112
4 C8x C 28.0978 -18.3147
5 C8x C 28.0978 -16.9148
6 C8y C 26.8886 -16.2114
7 C8x C 20.8395 -16.9217
8 C8x C 20.8395 -18.3217
9 C8x C 22.0556 -19.0181
10 C8x C 23.2648 -18.3217
11 C8y C 23.2648 -16.9217
12 C8x C 22.0556 -16.2183
13 O2a O 24.4695 -16.2114
14 N1b N 26.8752 -14.8114
15 S4a S 28.0853 -14.1079
16 C1a C 29.2953 -13.3972
17 O3c O 28.7817 -15.3179
18 O3c O 27.3817 -12.8907
19 N2b N 26.8752 -20.4112 #+
20 O3a O 25.5883 -21.1775 #-
21 O3a O 28.0853 -21.1146
BOND 22
1 9 10 2
2 10 11 1
3 11 12 2
4 12 7 1
5 6 1 1
6 11 13 1
7 13 1 1
8 6 14 1
9 1 2 2
10 14 15 1
11 2 3 1
12 15 16 1
13 3 4 2
14 15 17 2
15 4 5 1
16 15 18 2
17 5 6 2
18 3 19 1
19 7 8 2
20 19 20 1
21 8 9 1
22 19 21 2
|
|---|
