ROCK inhibitor 3

Ligand id: 10425

Name: ROCK inhibitor 3

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 103.26
Molecular weight 282.15
XLogP 1.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-fluoro-2-methoxy-6-{[(1r,4r)-4-aminocyclohexyl]amino}pyridine-3-carboxamide
Synonyms
Chiesi Rock inhibitor [2] | example 3 [WO2010032875A2] [3]
Comments
Inhibitor 3 is a selectve and potent inhibitor of the Rho-associated kinases, ROCK1 and ROCK2. The chemical structure presented here was drawn from Cantoni et al., 2019 [1]. PubChem CID 46182713 presents the compound without specified stereochemistry.
Database Links
GtoPdb PubChem SID 385612185
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