fasudil   

GtoPdb Ligand ID: 5181

Synonyms: dihydrochloride fasudil | HA 1077 | HA1077
fasudil is an approved drug (1995)
Compound class: Synthetic organic
Comment: Fasudil is a potent inhibitor of the Rho-kinases ROCK1 and ROCK2.
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: fasudil

2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 70.68
Molecular weight 291.1
XLogP 0.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1
Isomeric SMILES O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1
InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
InChI Key NGOGFTYYXHNFQH-UHFFFAOYSA-N
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Rho associated coiled-coil containing protein kinase 1 Hs Inhibitor Inhibition 7.0 pKi - 7
pKi 7.0 (Ki 1x10-7 M) [7]
Rho associated coiled-coil containing protein kinase 2 Hs Inhibitor Inhibition 6.6 pKi - 6
pKi 6.6 (Ki 2.71x10-7 M) [6]
Rho associated coiled-coil containing protein kinase 2 Hs Inhibitor Inhibition 5.9 – 5.9 pIC50 - 6-7
pIC50 5.9 – 5.9 (IC50 1.349x10-6 – 1.29x10-6 M) [6-7]
Rho associated coiled-coil containing protein kinase 1 Hs Inhibitor Inhibition 5.5 – 5.6 pIC50 - 6-7
pIC50 5.5 – 5.6 (IC50 3.16x10-6 – 2.67x10-6 M) [6-7]