ripasudil   

GtoPdb Ligand ID: 10423

Synonyms: Glanatec® | K-115 (ripasudil hydrochloride dihydrate)
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).
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 323.11
XLogP 1.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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
InChI Key QSKQVZWVLOIIEV-NSHDSACASA-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 2 Hs Inhibitor Inhibition 7.7 pIC50 - 2
pIC50 7.7 (IC50 1.9x10-8 M) [2]
Rho associated coiled-coil containing protein kinase 1 Hs Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 5.1x10-8 M) [2]
protein kinase, cAMP-dependent, catalytic, alpha subunit Hs Inhibitor Inhibition 5.7 pIC50 - 2
pIC50 5.7 (IC50 2.1x10-6 M) [2]