SAR407899   

GtoPdb Ligand ID: 8910

Synonyms: HY-15687A | SAR-407899
Compound class: Synthetic organic
Comment: SAR407899 is a potent ATP-competitive, Rho kinase inhibitor [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.12
Molecular weight 244.12
XLogP 2.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1
Isomeric SMILES O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1
InChI InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
InChI Key IPEXHQGMTHOKQV-UHFFFAOYSA-N
References
1. Löhn M, Plettenburg O, Ivashchenko Y, Kannt A, Hofmeister A, Kadereit D, Schaefer M, Linz W, Kohlmann M, Herbert JM et al.. (2009)
Pharmacological characterization of SAR407899, a novel rho-kinase inhibitor.
Hypertension, 54 (3): 676-83. [PMID:19597037]