ripasudil

Ligand id: 10423

Name: ripasudil

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 70.68
Molecular weight 323.11
XLogP 1.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (Japan (2014))
IUPAC Name
4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
International Nonproprietary Names
INN number INN
9691 ripasudil
Synonyms
Glanatec® | K-115 (ripasudil hydrochloride dihydrate)
Comments
Ripasudil is an isoquinoline class Rho-associated kinase (ROCK) inhibitor [1-2]. We present the parent molecule here. The hydrochloride dihydrate is referred to using the research code K-115 (see PubChem CID 11625386).
Database Links
BindingDB Ligand 50087135
CAS Registry No. 223645-67-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL3426621
DrugBank Ligand DB13165
GtoPdb PubChem SID 385612183
PubChem CID 9863672
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