| Entry |
|
|---|
| Name |
Ifetroban sodium (USAN) |
|---|
| Formula |
C25H31N2O5. Na
|
|---|
| Exact mass |
462.2131
|
|---|
| Mol weight |
462.5138
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-allergic agent
DG01517 Thromboxane A2 receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antithrombotic, 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
DG01350 Ifetroban
D04501 Ifetroban sodium
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Thromboxane
TBXA2R
D04501 Ifetroban sodium (USAN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01517 Thromboxane A2 receptor antagonist
DG01350 Ifetroban
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C1y C 10.2900 -11.9700
2 C1y C 8.7500 -11.4800
3 C1x C 6.7900 -12.1100
4 C1x C 6.7900 -13.5100
5 C1y C 8.2600 -12.8800
6 C1y C 10.2900 -13.3000
7 O2x O 8.3300 -10.3600
8 C1b C 11.4800 -12.7400
9 C8y C 11.2700 -11.0600
10 O2x O 12.6000 -11.0600
11 C8x C 12.9500 -9.8000
12 C8y C 11.9000 -9.0300
13 N5x N 10.7800 -9.8000
14 C5a C 11.9000 -7.7000
15 O5a O 10.7800 -7.0000
16 N1b N 13.0200 -7.0000
17 C1b C 14.1400 -7.7000
18 C1b C 15.2600 -7.0000
19 C1b C 16.3800 -7.7000
20 C1b C 17.5000 -7.0000
21 C1a C 18.6200 -7.7000
22 C8y C 12.6000 -13.5100
23 C8x C 12.6000 -14.7700
24 C8x C 13.7200 -15.4700
25 C8x C 14.8400 -14.7700
26 C8x C 14.8400 -13.5100
27 C8y C 13.7200 -12.8100
28 C1b C 13.7200 -11.4800
29 C1b C 14.8400 -10.8500
30 C6a C 15.9600 -11.4800
31 O6a O 17.0800 -10.8500 #-
32 O6a O 15.9600 -12.8100
33 Z Na 18.8912 -10.9550 #+
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 5 1
9 6 8 1 #Up
10 1 9 1 #Up
11 9 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 9 13 2
16 12 14 1
17 14 15 2
18 14 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 8 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 30 32 2
|
|---|
