KEGG   DRUG: D03115Help
Entry
D03115                      Drug                                   

Name
Fasudil hydrochloride hydrate (JAN);
Eril-S (TN)
Formula
(C14H17N3O2S. HCl)2. H2O
Exact mass
672.1722
Mol weight
673.6745
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
Rho-associated protein kinase (ROCK) inhibitor [HSA:6093 9475] [KO:K04514 K17388]
  Pathway
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
      D03115  Fasudil hydrochloride hydrate (JAN)
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)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: AGC group
   DMPK family
    rho-associated protein kinase (ROCK)
     Fasudil
      D03115  Fasudil hydrochloride hydrate (JAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system