| Entry |
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| Name |
Sitaxentan sodium (USAN);
Thelin (TN) |
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| Formula |
C18H15ClN2O6S2. Na
|
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| Exact mass |
476.9958
|
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| Mol weight |
477.90
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| Structure |
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| Simcomp |
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| Class |
Cardiovascular agent
DG01502 Endothelin receptor antagonist
|
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| Remark |
|
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| Efficacy |
Antihypertensive, Endothelin receptor type A antagonist |
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| Comment |
Treatment of congestive heart failure, ischemic deficits in patients with subarachnoid, treatment of hypertension, and treatment of prostate cancer
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| Target |
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C02 ANTIHYPERTENSIVES
C02K OTHER ANTIHYPERTENSIVES
C02KX Antihypertensives for pulmonary arterial hypertension
C02KX03 Sitaxentan
D08517 Sitaxentan sodium (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01502 Endothelin receptor antagonist
DG00267 Sitaxentan
D08517 Sitaxentan sodium
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Endothelin
EDNRA
D08517 Sitaxentan sodium (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01502 Endothelin receptor antagonist
DG00267 Sitaxentan
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 C8y C 18.2700 -17.6400
2 C8y C 18.2700 -19.0400
3 C8x C 19.5300 -19.7400
4 C8y C 20.7200 -19.0400
5 C8y C 20.7200 -17.6400
6 C8x C 19.5300 -16.9400
7 O2x O 16.9400 -17.2900
8 C1x C 16.1700 -18.4800
9 O2x O 17.0800 -19.5300
10 C1a C 21.9100 -20.1600
11 C1b C 21.9100 -16.9400
12 C5a C 23.1700 -17.6400
13 C8y C 24.3600 -16.9400
14 C8y C 25.6200 -17.5000
15 C8x C 26.5300 -16.4500
16 C8x C 25.9000 -15.2600
17 S2x S 24.5000 -15.5400
18 S4a S 25.9000 -18.8300
19 O3c O 24.5700 -19.1100
20 O3c O 26.2500 -20.2300
21 N1b N 27.2300 -18.5500
22 C8y C 28.6300 -19.1100
23 O2x O 28.9100 -20.4400
24 N5x N 30.3100 -20.5800
25 C8y C 30.8000 -19.3200
26 C8y C 29.7500 -18.4100
27 X Cl 29.8900 -17.0100
28 C1a C 32.2000 -19.0400
29 O5a O 23.1700 -19.0400
30 Z Na 27.9300 -13.7900
BOND 32
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 7 8 1
9 8 9 1
10 9 2 1
11 4 10 1
12 5 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 13 17 1
20 14 18 1
21 18 19 2
22 18 20 2
23 18 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 22 26 2
30 26 27 1
31 25 28 1
32 12 29 2
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