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.
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View more information in the IUPHAR Pharmacology Education Project: fasudil

2D Structure
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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

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
protein kinase X-linked PrKX/PRKX Hs Inhibitor Inhibition 23.5 21.0 2.0
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 36.3
Rho associated coiled-coil containing protein kinase 2 ROCK-II/ROCK2 Hs Inhibitor Inhibition 37.8 25.0 4.0
protein kinase N1 nd/PKN1(PRK1) Hs Inhibitor Inhibition 40.5
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 44.1
mitogen-activated protein kinase kinase kinase kinase 2 GCK/GCK(MAP4K2) Hs Inhibitor Inhibition 45.7 104.0 83.0
Rho associated coiled-coil containing protein kinase 1 ROCK-I/ROCK1 Hs Inhibitor Inhibition 60.2 98.0 36.0
ribosomal protein S6 kinase A5 MSK1/MSK1(RPS6KA5) Hs Inhibitor Inhibition 62.1 81.0 41.0
casein kinase 1 alpha 1 nd/CK1a1 Hs Inhibitor Inhibition 64.3
protein kinase D1 PKCμ/PKCmu(PRKD1) Hs Inhibitor Inhibition 65.1 84.0 20.0
Displaying the top 10 targets  View all targets in screen »