| Entry |
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| Name |
Fasudil hydrochloride hydrate (JAN);
Eril-S (TN)
|
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| Formula |
(C14H17N3O2S. HCl)2. H2O
|
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| Exact mass |
672.1722
|
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| Mol weight |
673.6745
|
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| Structure |
     |
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| Remark |
Therapeutic category: ATC code: |
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| Target |
Rho-associated protein kinase (ROCK) inhibitor [HSA: 6093 9475] [KO: K04514] |
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| Pathway |
hsa04810 Regulation of actin cytoskeleton | |
|
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
219 Miscellaneous
2190 Miscellaneous
D03115 Fasudil hydrochloride hydrate (JAN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AX Other peripheral vasodilators
C04AX32 Fasudil
D03115 Fasudil hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine protein kinases: AGC group
DMPK family
rho-associated protein kinase (ROCK) [HSA:6093 9475] [KO:K04514]
Fasudil [ATC:C04AX32]
D03115 Fasudil hydrochloride hydrate (JAN)
 |
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| Other DBs |
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| KCF data |
ATOM 43
1 O0 O 39.0784 -15.8061
2 X Cl 34.5800 -15.6100
3 C1x C 28.8400 -14.2800
4 C1x C 28.0000 -13.1600
5 C1x C 28.3500 -11.8300
6 N1x N 29.6100 -11.2700
7 N1y N 30.2400 -14.2800
8 C1x C 30.8700 -11.9000
9 C1x C 31.1500 -13.2300
10 S4a S 30.2400 -15.6800
11 C8y C 30.2400 -17.0800
12 O3c O 31.6400 -15.6800
13 O3c O 28.8400 -15.6800
14 C8x C 29.0500 -17.7800
15 C8x C 29.0500 -19.1800
16 C8x C 30.2400 -19.8800
17 C8y C 31.4300 -19.1800
18 C8y C 31.4300 -17.7800
19 C8x C 32.6900 -19.9500
20 N5x N 33.8800 -19.2500
21 C8x C 33.8800 -17.8500
22 C8x C 32.6900 -17.1500
23 X Cl 34.5800 -15.6100
24 C1x C 28.8400 -14.2800
25 N1y N 30.2400 -14.2800
26 C1x C 31.1500 -13.2300
27 C1x C 30.8700 -11.9000
28 N1x N 29.6100 -11.2700
29 C1x C 28.3500 -11.8300
30 C1x C 28.0000 -13.1600
31 S4a S 30.2400 -15.6800
32 C8y C 30.2400 -17.0800
33 C8x C 29.0500 -17.7800
34 C8x C 29.0500 -19.1800
35 C8x C 30.2400 -19.8800
36 C8y C 31.4300 -19.1800
37 C8y C 31.4300 -17.7800
38 C8x C 32.6900 -17.1500
39 C8x C 33.8800 -17.8500
40 N5x N 33.8800 -19.2500
41 C8x C 32.6900 -19.9500
42 O3c O 31.6400 -15.6800
43 O3c O 28.8400 -15.6800
BOND 44
1 5 6 1
2 3 7 1
3 6 8 1
4 4 5 1
5 7 9 1
6 3 4 1
7 8 9 1
8 7 10 1
9 10 11 1
10 10 12 2
11 10 13 2
12 11 14 2
13 14 15 1
14 15 16 2
15 16 17 1
16 17 18 2
17 11 18 1
18 17 19 1
19 19 20 2
20 20 21 1
21 21 22 2
22 18 22 1
23 29 28 1
24 24 25 1
25 28 27 1
26 30 29 1
27 25 26 1
28 24 30 1
29 27 26 1
30 25 31 1
31 31 32 1
32 31 42 2
33 31 43 2
34 32 33 2
35 33 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 32 37 1
40 36 41 1
41 41 40 2
42 40 39 1
43 39 38 2
44 37 38 1
BRACKET 1 27.5800 -20.5100 27.5800 -9.8700
1 35.5600 -9.8700 35.5600 -20.5100
1 2
ORIGINAL 1 2 3 7 9 8 6 5 4 10 11 14 15 16 17 18 22
1 21 20 19 12 13
REPEAT 1 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
1 39 40 41 42 43
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