| Entry |
|
|---|
| Name |
Ketanserin tartrate;
Sufrexal (TN) |
|---|
| Formula |
C22H22FN3O3. C4H6O6
|
|---|
| Exact mass |
545.181
|
|---|
| Mol weight |
545.5136
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG01457 alpha1-Adrenergic receptor antagonist
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, Vasodilator (peripheric), Serotonin receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07211 | Serotonin receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C02 ANTIHYPERTENSIVES
C02K OTHER ANTIHYPERTENSIVES
C02KD Serotonin antagonists
C02KD01 Ketanserin
D08099 Ketanserin tartrate
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG01457 alpha1-Adrenergic receptor antagonist
DG00265 Ketanserin
D08099 Ketanserin tartrate
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG00265 Ketanserin
D08099 Ketanserin tartrate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR2A
D08099 Ketanserin tartrate
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG01457 alpha1-Adrenergic receptor antagonist
DG00265 Ketanserin
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG00265 Ketanserin
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 39
1 C8y C 27.7200 -15.8900
2 C8y C 27.7200 -17.2900
3 N4x N 26.5300 -15.1900
4 C8x C 28.9100 -15.1900
5 C8y C 26.5300 -17.9900
6 C8x C 28.9100 -17.9900
7 C8y C 25.2700 -15.8900
8 C8x C 30.1700 -15.8900
9 N4y N 25.2700 -17.2900
10 O5x O 26.5300 -19.3900
11 C8x C 30.1700 -17.2900
12 O5x O 24.0800 -15.1900
13 C1b C 24.0800 -17.9900
14 C1b C 22.8900 -17.2900
15 N1y N 21.6300 -17.9900
16 C1x C 20.4400 -17.2900
17 C1x C 21.6300 -19.3900
18 C1x C 19.2500 -17.9900
19 C1x C 20.4400 -20.0900
20 C1y C 19.2500 -19.3900
21 C5a C 17.9900 -20.0900
22 O5a O 17.9900 -21.4900
23 C8y C 16.8000 -19.3900
24 C8x C 16.8000 -17.9900
25 C8x C 15.6100 -17.2900
26 C8y C 14.4200 -17.9900
27 C8x C 14.4200 -19.3900
28 C8x C 15.6100 -20.0900
29 X F 13.1600 -17.2900
30 O6a O 33.4600 -18.6900
31 C6a C 34.6500 -17.9900
32 C1c C 35.9100 -18.6900
33 C1c C 37.1000 -17.9900
34 C6a C 38.2900 -18.6900
35 O6a O 39.5500 -17.9900
36 O6a O 34.6500 -16.5900
37 O6a O 38.2900 -20.0900
38 O1a O 35.9100 -20.0900
39 O1a O 37.1000 -16.5900
BOND 41
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 2
12 9 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 7 9 1
21 8 11 2
22 19 20 1
23 20 21 1
24 21 22 2
25 21 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 26 29 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 31 36 2
39 34 37 2
40 32 38 1 #Up
41 33 39 1 #Up
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