| Entry |
|
|---|
| Name |
Daltroban (USAN/INN) |
|---|
| Formula |
C16H16ClNO4S
|
|---|
| Exact mass |
353.0489
|
|---|
| Mol weight |
353.8205
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-allergic agent
DG01517 Thromboxane A2 receptor antagonist
|
|---|
| Efficacy |
Immunosuppressant, Thromboxane A2 (TXA2) receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-allergic agent
DG01517 Thromboxane A2 receptor antagonist
D03642 Daltroban
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Thromboxane
TBXA2R
D03642 Daltroban (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C8x C 9.0300 -20.2300
2 C8y C 9.0300 -21.6300
3 C8x C 10.2424 -22.3300
4 C8x C 11.4549 -21.6300
5 C8y C 11.4549 -20.2300
6 C8x C 10.2424 -19.5300
7 X Cl 7.8176 -22.3300
8 S4a S 12.6860 -19.5190
9 N1b N 13.8912 -20.2147
10 C1b C 15.0735 -19.5319
11 C1b C 16.2675 -20.2212
12 C8y C 17.4554 -19.5352
13 C8x C 18.6465 -20.2229
14 C8x C 19.8590 -19.5229
15 C8y C 19.8590 -18.1229
16 C8x C 18.6679 -17.4352
17 C8x C 17.4555 -18.1352
18 C1b C 21.0840 -17.4155
19 C6a C 22.2921 -18.1130
20 O6a O 23.4730 -17.4310
21 O6a O 22.2926 -19.5296
22 O3c O 11.9860 -18.3065
23 O3c O 13.3860 -18.3065
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 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 15 18 1
20 18 19 1
21 19 20 1
22 19 21 2
23 8 22 2
24 8 23 2
|
|---|
