| Entry |
|
|---|
| Name |
Centhaquine (USAN) |
|---|
| Formula |
C22H25N3
|
|---|
| Exact mass |
331.2048
|
|---|
| Mol weight |
331.45
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Resuscitative agent |
|---|
| Comment |
Treatment for patients with hypovolemic shock
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CA Adrenergic and dopaminergic agents
C01CA28 Centhaquine
D11974 Centhaquine (USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Endothelin
EDNR
D11974 Centhaquine (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8y C 15.6800 -13.5800
2 C8y C 15.6800 -12.1800
3 C8x C 16.8700 -11.4800
4 C8x C 18.1300 -12.1800
5 C8y C 18.1300 -13.5800
6 N5x N 16.8700 -14.2800
7 C8x C 14.4900 -14.2800
8 C8x C 13.2300 -13.5800
9 C8x C 13.2300 -12.1800
10 C8x C 14.4900 -11.4800
11 C1b C 19.3200 -14.2800
12 C1b C 20.5100 -13.5800
13 N1y N 21.7000 -14.2800
14 C1x C 22.8900 -13.5800
15 C1x C 24.1500 -14.2800
16 N1y N 24.1500 -15.6800
17 C1x C 22.9600 -16.3800
18 C1x C 21.7000 -15.6800
19 C8y C 25.3400 -16.3800
20 C8x C 26.5300 -15.6800
21 C8y C 27.7900 -16.3800
22 C8x C 27.7900 -17.7800
23 C8x C 26.6000 -18.4800
24 C8x C 25.3400 -17.7800
25 C1a C 28.9800 -15.6800
BOND 28
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 2
9 8 9 1
10 9 10 2
11 2 10 1
12 5 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 16 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 21 25 1
|
|---|
