| Entry |
|
|---|
| Name |
Dexibuprofen lysine (USAN);
Dexibuprofen lysine monohydrate;
Doctrin (TN) |
|---|
| Formula |
C13H18O2. C6H14N2O2. H2O
|
|---|
| Exact mass |
370.2468
|
|---|
| Mol weight |
370.48
|
|---|
| 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 |
|
|---|
| Structure map |
|
|---|
| 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
M01AE14 Dexibuprofen
D03718 Dexibuprofen lysine (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00756 Dexibuprofen
D03718 Dexibuprofen lysine
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D03718 Dexibuprofen lysine (USAN)
PTGS2 (COX2)
D03718 Dexibuprofen lysine (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00756 Dexibuprofen
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 O6a O 25.3565 -14.1437
2 C6a C 24.1451 -14.8439
3 C1c C 22.9328 -14.1449
4 O6a O 24.1457 -16.2431
5 C8y C 21.7215 -14.8451
6 C8x C 20.5150 -14.1433
7 C8x C 19.3038 -14.8436
8 C8y C 19.3044 -16.2428
9 C8x C 20.5165 -16.9417
10 C8x C 21.7278 -16.2414
11 C1b C 18.0930 -16.9429
12 C1c C 16.8808 -16.2440
13 C1a C 15.6695 -16.9442
14 C1a C 16.8801 -14.8448
15 C1a C 22.9319 -12.7274
16 C1c C 30.1454 -15.2963
17 C1b C 31.3606 -14.6185
18 C6a C 28.9944 -14.5484
19 N1a N 30.1863 -16.7043
20 C1b C 32.5701 -15.3314
21 O6a O 27.7674 -15.2321
22 O6a O 28.9943 -13.1460
23 C1b C 33.7973 -14.6476
24 C1b C 35.0068 -15.3665
25 N1a N 36.2337 -14.6827
26 O0 O 36.4001 -17.6401
BOND 24
1 2 4 2
2 3 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 8 9 1
7 9 10 2
8 10 5 1
9 8 11 1
10 1 2 1
11 11 12 1
12 12 13 1
13 2 3 1
14 12 14 1
15 3 15 1 #Down
16 16 17 1
17 16 18 1
18 16 19 1 #Down
19 17 20 1
20 18 21 1
21 18 22 2
22 20 23 1
23 23 24 1
24 24 25 1
|
|---|
