| Entry |
|
|---|
| Name |
Ibuproxam (INN);
Ibudros (TN) |
|---|
| Formula |
C13H19NO2
|
|---|
| Exact mass |
221.1416
|
|---|
| Mol weight |
221.2955
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, COX inhibitor |
|---|
| Comment |
Propionic acid 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
M01AE Propionic acid derivatives
M01AE13 Ibuproxam
D07268 Ibuproxam (INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
D07268 Ibuproxam
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D07268 Ibuproxam (INN)
PTGS2 (COX2)
D07268 Ibuproxam (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 16
1 C8x C 16.8700 -18.2700
2 C8y C 16.8700 -19.6700
3 C8x C 18.0824 -20.3700
4 C8x C 19.2949 -19.6700
5 C8y C 19.2949 -18.2700
6 C8x C 18.0824 -17.5700
7 C1c C 20.5324 -17.5700
8 C5a C 21.7449 -18.2700
9 N1b N 22.9573 -17.5700
10 O1b O 24.1697 -18.2700
11 C1b C 15.6576 -20.3700
12 C1c C 14.4621 -19.6796
13 C1a C 13.2747 -20.3651
14 C1a C 20.5386 -16.1703
15 C1a C 14.4620 -18.2703
16 O5a O 21.7449 -19.6698
BOND 16
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 9 10 1
11 2 11 1
12 11 12 1
13 12 13 1
14 7 14 1
15 12 15 1
16 8 16 2
|
|---|
