| Entry |
|
|---|
| Name |
Ifetroban (USAN/INN)
|
|---|
| Formula |
C25H32N2O5
|
|---|
| Exact mass |
440.2311
|
|---|
| Mol weight |
440.532
|
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| Structure |
     |
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| Activity |
Antithrombotic
|
|---|
| Target |
thromboxane A2 (TXA2) receptor antagonist [HSA: 6915] [KO: K04264] |
|---|
| Pathway |
hsa04020 Calcium signaling pathway
hsa04080 Neuroactive ligand-receptor interaction | |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Thromboxane
thromboxane A2 (TXA2) receptor [HSA:6915] [KO:K04264]
Ifetroban
D04500 Ifetroban (USAN/INN)
 |
|---|
| Other DBs |
CAS: 143443-90-7 PubChem: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 32
1 C1y C 9.6600 -9.5900
2 C1y C 8.0500 -9.1000
3 C1x C 5.9500 -9.7300
4 C1x C 5.9500 -11.2000
5 C1y C 7.4900 -10.5700
6 C1y C 9.6600 -10.9900
7 O2x O 7.5600 -7.9100
8 C1b C 10.9200 -10.4300
9 C8y C 10.7100 -8.6100
10 O2x O 12.1100 -8.6100
11 C8x C 12.5300 -7.2800
12 C8y C 11.4100 -6.4400
13 N5x N 10.2200 -7.2800
14 C5a C 11.4100 -5.0400
15 O5a O 10.2200 -4.3400
16 N1b N 12.6000 -4.3400
17 C1b C 13.7900 -5.0400
18 C1b C 14.9800 -4.3400
19 C1b C 16.1700 -5.0400
20 C1b C 17.3600 -4.3400
21 C1a C 18.5500 -5.0400
22 C8y C 12.1100 -11.2000
23 C8x C 12.1100 -12.6000
24 C8x C 13.3000 -13.3000
25 C8x C 14.4900 -12.6000
26 C8x C 14.4900 -11.2000
27 C8y C 13.3000 -10.5000
28 C1b C 13.3000 -9.1000
29 C1b C 14.4900 -8.4000
30 C6a C 15.6800 -9.1000
31 O6a O 16.8700 -8.4000
32 O6a O 15.6800 -10.5000
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
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