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(Z)-N-(4-Chlorophenyl)-2-((3-(2-(pyridin-4-yl)vinyl)quinoxalin-2-yl)oxy)acetamide ID: ALA3774474
Chembl Id: CHEMBL3774474
PubChem CID: 127030510
Max Phase: Preclinical
Molecular Formula: C23H17ClN4O2
Molecular Weight: 416.87
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(COc1nc2ccccc2nc1/C=C\c1ccncc1)Nc1ccc(Cl)cc1
Standard InChI: InChI=1S/C23H17ClN4O2/c24-17-6-8-18(9-7-17)26-22(29)15-30-23-21(10-5-16-11-13-25-14-12-16)27-19-3-1-2-4-20(19)28-23/h1-14H,15H2,(H,26,29)/b10-5-
Standard InChI Key: OATTWFXCIGJXBM-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: 4.87#Rotatable Bonds: 6Polar Surface Area: 77.00Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 12.53CX Basic pKa: 5.21CX LogP: 4.61CX LogD: 4.61Aromatic Rings: 4Heavy Atoms: 30QED Weighted: 0.49Np Likeness Score: -1.34
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 ]
