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(Z)-N-(4-Chlorophenyl)-2-(2-oxo-3-(2-(pyridin-4-yl)vinyl)quinoxalin-1(2H)-yl)acetamide ID: ALA3775981
Chembl Id: CHEMBL3775981
PubChem CID: 127031788
Max Phase: Preclinical
Molecular Formula: C23H17ClN4O2
Molecular Weight: 416.87
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(Cn1c(=O)c(/C=C\c2ccncc2)nc2ccccc21)Nc1ccc(Cl)cc1
Standard InChI: InChI=1S/C23H17ClN4O2/c24-17-6-8-18(9-7-17)26-22(29)15-28-21-4-2-1-3-19(21)27-20(23(28)30)10-5-16-11-13-25-14-12-16/h1-14H,15H2,(H,26,29)/b10-5-
Standard InChI Key: BZRIJAGEJSHIQM-YHYXMXQVSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 416.87Molecular Weight (Monoisotopic): 416.1040AlogP: 4.25#Rotatable Bonds: 5Polar Surface Area: 76.88Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 11.27CX Basic pKa: 5.20CX LogP: 3.75CX LogD: 3.75Aromatic Rings: 4Heavy Atoms: 30QED Weighted: 0.53Np Likeness Score: -1.54
References 1. Shi L, Zhou J, Wu J, Cao J, Shen Y, Zhou H, Li X.. (2016) Quinoxalinone (Part II). Discovery of (Z)-3-(2-(pyridin-4-yl)vinyl)quinoxalinone derivates as potent VEGFR-2 kinase inhibitors., 24 (8): [PMID:26968648 ] [10.1016/j.bmc.2016.03.008 ]
