| Entry |
|
|---|
| Name |
Darbufelone mesylate (USAN) |
|---|
| Formula |
C18H24N2O2S. CH4SO3
|
|---|
| Exact mass |
428.1440
|
|---|
| Mol weight |
428.57
|
|---|
| Structure |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
|
|---|
| Efficacy |
Anti-inflammatory, Arachidonate 5-lipoxygenase inhibitor, COX-2 inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
D03652 Darbufelone mesylate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dioxygenases
ALOX5
D03652 Darbufelone mesylate (USAN)
Prostaglandin synthase
PTGS2 (COX2)
D03652 Darbufelone mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8y C 24.1743 -18.4259
2 C8x C 24.1743 -19.8440
3 C8y C 25.4026 -20.5531
4 C8x C 26.6306 -19.8440
5 C8y C 26.6306 -18.4259
6 C8y C 25.4026 -17.7168
7 C1d C 22.9463 -17.7168
8 C1d C 27.8602 -17.7160
9 C1a C 29.0898 -18.4259
10 C1a C 27.8602 -16.2987
11 C1a C 21.7174 -18.4263
12 C1a C 22.9463 -16.2987
13 C2b C 25.4026 -21.9712
14 O1a O 25.4026 -16.4405
15 C1a C 29.0907 -17.0077
16 C1a C 21.7163 -17.0077
17 C2y C 26.6128 -22.6698
18 C5x C 26.5668 -24.0518
19 N1x N 27.8647 -24.5234
20 C2y C 28.7143 -23.4346
21 S2x S 27.9413 -22.2902
22 O5x O 25.3885 -24.8478
23 N2a N 30.1166 -23.4826
24 O1d O 34.2687 -19.4722
25 S4a S 34.2687 -20.8517
26 C1a C 32.8894 -20.8517
27 O1d O 35.6483 -20.8517
28 O1d O 34.2687 -22.2312
BOND 28
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 1 7 1
8 5 8 1
9 8 9 1
10 8 10 1
11 7 11 1
12 7 12 1
13 3 13 1
14 6 14 1
15 8 15 1
16 7 16 1
17 13 17 2
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 17 21 1
23 18 22 2
24 20 23 2
25 24 25 2
26 25 26 1
27 25 27 1
28 25 28 2
|
|---|
