SAR-407899

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 3B974D670O
EPA CompTox DTXSID80655294

Structure

InChI Key IPEXHQGMTHOKQV-UHFFFAOYSA-N
Smiles O=c1[nH]ccc2cc(OC3CCNCC3)ccc12
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17ClN2O2
Molecular Weight 280.76
AlogP 1.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 54.12
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Rho-associated protein kinase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- 186.21 - - -

Target Conservation

Protein: Rho-associated protein kinase
Description: Rho-associated protein kinase 2
Organism : Homo sapiens
O75116 ENSG00000134318
Protein: Rho-associated protein kinase
Description: Rho-associated protein kinase 1
Organism : Homo sapiens
Q13464 ENSG00000067900

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3545341
FDA SRS 3B974D670O
PubChem 15604510
SureChEMBL SCHEMBL952603
ChEMBL CHEMBL1667969
FDA SRS 3B974D670O
Guide to Pharmacology 8910
PubChem 15604510
SureChEMBL SCHEMBL952213
ZINC ZINC000034603838
CONTENTS