fasudil

Ligand id: 5181

Name: fasudil

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Structure and Physico-chemical Properties

2D Structure
Calculated 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 0.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (1995)
IUPAC Name
5-(1,4-diazepane-1-sulfonyl)isoquinoline
International Nonproprietary Names
INN number INN
6696 fasudil
Synonyms
dihydrochloride fasudil | HA 1077 | HA1077
Database Links
CAS Registry No. 103745-39-7
ChEMBL Ligand CHEMBL38380
GtoPdb PubChem SID 178101871
PubChem CID 3547
RCSB PDB Ligand M77
Search Google for chemical match using the InChIKey NGOGFTYYXHNFQH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NGOGFTYYXHNFQH
Search PubMed clinical trials fasudil
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Search PubMed titles/abstracts fasudil
Search UniChem for chemical match using the InChIKey NGOGFTYYXHNFQH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NGOGFTYYXHNFQH
SynPHARM 81345 (in complex with Rho associated coiled-coil containing protein kinase 1)
81347 (in complex with Rho associated coiled-coil containing protein kinase 1)
Wikipedia Fasudil
Comments
Fasudil is a potent inhibitor of the Rho-kinases ROCK1 and ROCK2.