SAR-407899

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3B974D670O

Structure
InChI Key IPEXHQGMTHOKQV-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Rho-associated protein kinase 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 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Erectile Dysfunction 2 D007172 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545341
EPA CompTox DTXSID80655294
FDA SRS 3B974D670O
PubChem 15604510
SureChEMBL SCHEMBL952603
ChEMBL CHEMBL1667969
FDA SRS 3B974D670O
Guide to Pharmacology 8910
PubChem 15604510
SureChEMBL SCHEMBL952213
ZINC ZINC000034603838
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