KEGG   DRUG: FasudilHelp
Entry
D07941                      Drug                                   

Name
Fasudil (INN)
Formula
C14H17N3O2S
Exact mass
291.1041
Mol weight
291.3687
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: C04AX32
Chemical structure group: DG00293
Product (DG00293): D03115<JP>
Efficacy
Vasodilator, Rho-associated kinase inhibitor
Target
ROCK [HSA:6093 9475] [KO:K04514 K17388]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04270  Vascular smooth muscle contraction
hsa04810  Regulation of actin cytoskeleton
hsa04921  Oxytocin signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AX Other peripheral vasodilators
     C04AX32 Fasudil
      D07941  Fasudil (INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    ROCK
     D07941  Fasudil (INN)
BRITE hierarchy
Other DBs
CAS: 103745-39-7
PubChem: 96024636
ChEMBL: CHEMBL38380
DrugBank: DB04707
PDB-CCD: M77[PDBj]
LigandBox: D07941
NIKKAJI: J227.600C
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1x C    21.7000  -16.6600
            2   C1x C    20.8600  -15.5400
            3   C1x C    21.1400  -14.1400
            4   N1x N    22.4700  -13.5800
            5   N1y N    23.1000  -16.6600
            6   C1x C    23.6600  -14.2100
            7   C1x C    24.0100  -15.5400
            8   S4a S    23.1000  -18.0600
            9   C8y C    23.1000  -19.4600
            10  O3c O    24.5000  -18.0600
            11  O3c O    21.7000  -18.0600
            12  C8x C    21.9100  -20.1600
            13  C8x C    21.9100  -21.5600
            14  C8x C    23.1000  -22.2600
            15  C8y C    24.2900  -21.5600
            16  C8y C    24.2900  -20.1600
            17  C8x C    25.5500  -22.2600
            18  N5x N    26.7400  -21.5600
            19  C8x C    26.7400  -20.1600
            20  C8x C    25.5500  -19.4600
BOND        22
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    8  11 2
            12    9  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17    9  16 1
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   16  20 1

» Japanese version   » Back

DBGET integrated database retrieval system