ripasudil   Click here for help

GtoPdb Ligand ID: 10423

Synonyms: Glanatec® | K-115 (ripasudil hydrochloride dihydrate)
Approved drug
ripasudil is an approved drug (Japan (2014))
Compound class: Synthetic organic
Comment: 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).
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES CC1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2
Isomeric SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2
InChI InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (2014))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9691 ripasudil
Synonyms Click here for help
Glanatec® | K-115 (ripasudil hydrochloride dihydrate)
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9680440
Reactome Reaction Reactome logo R-HSA-9680443
Other databases
BindingDB Ligand 50087135
CAS Registry No. 223645-67-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL3426621
DrugBank Ligand DB13165
DrugCentral Ligand 4938
GtoPdb PubChem SID 385612183
PubChem CID 9863672
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