| Entry |
|
|---|
| Name |
Fasudil hydrochloride (JAN) |
|---|
| Formula |
C14H17N3O2S. HCl
|
|---|
| Exact mass |
327.0808
|
|---|
| Mol weight |
327.8296
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (DG00293): | D03115<JP> |
|
|---|
| Efficacy |
Vasodilator, Rho-associated kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04270 | Vascular smooth muscle contraction |
| hsa04810 | Regulation of actin cytoskeleton |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AX Other peripheral vasodilators
C04AX32 Fasudil
D01840 Fasudil hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
AGC group
ROCK
D01840 Fasudil hydrochloride (JAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 X Cl 36.4277 -15.8330
2 C1x C 30.6534 -14.4994
3 C1x C 29.8113 -13.3898
4 C1x C 30.1465 -12.0330
5 N1x N 31.4075 -11.4549
6 N1y N 32.0592 -14.5246
7 C1x C 32.6611 -12.0772
8 C1x C 32.9476 -13.4459
9 S4a S 32.0592 -15.9246
10 C8y C 32.0592 -17.3246
11 O3c O 33.4596 -15.9246
12 O3c O 30.6604 -15.9246
13 C8x C 30.8624 -18.0151
14 C8x C 30.8620 -19.4151
15 C8x C 32.0743 -20.1155
16 C8y C 33.2711 -19.4249
17 C8y C 33.2715 -18.0249
18 C8x C 34.4833 -20.1253
19 N5x N 35.6959 -19.4256
20 C8x C 35.6963 -18.0256
21 C8x C 34.4841 -17.3253
BOND 22
1 4 5 1
2 2 6 1
3 5 7 1
4 3 4 1
5 6 8 1
6 2 3 1
7 7 8 1
8 6 9 1
9 9 10 1
10 9 11 2
11 9 12 2
12 10 13 2
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 10 17 1
18 16 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 17 21 1
|
|---|
