Y-39983

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 00ALI1GAY2

Structure
InChI Key JTVBXQAYBIJXRP-SNVBAGLBSA-N
Smile C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
InChI
InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16N4O
Molecular Weight 280.33
AlogP 2.83
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 83.8
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Rho-associated protein kinase inhibitor PubMed 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
150 30-120 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91412
ChEMBL CHEMBL571948
EPA CompTox DTXSID50173718
FDA SRS 00ALI1GAY2
PubChem 11507964
SureChEMBL SCHEMBL226556
ZINC ZINC000013907839
CONTENTS