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N-(4-((2-Amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-1-(4-chloro-3-(trifluoromethyl)phenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide ID: ALA4467949
Chembl Id: CHEMBL4467949
PubChem CID: 155532749
Max Phase: Preclinical
Molecular Formula: C28H16Cl2F4N4O3
Molecular Weight: 603.36
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: Nc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4ccc(Cl)c(C(F)(F)F)c4)c3=O)cc2F)c1Cl
Standard InChI: InChI=1S/C28H16Cl2F4N4O3/c29-19-7-6-16(13-18(19)28(32,33)34)38-21-4-2-1-3-14(21)11-17(27(38)40)26(39)37-15-5-8-22(20(31)12-15)41-23-9-10-36-25(35)24(23)30/h1-13H,(H2,35,36)(H,37,39)
Standard InChI Key: GCHHHXVLMKGAJK-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 603.36Molecular Weight (Monoisotopic): 602.0536AlogP: 7.48#Rotatable Bonds: 5Polar Surface Area: 99.24Molecular Species: NEUTRALHBA: 6HBD: 2#RO5 Violations: 2HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski): 2CX Acidic pKa: 13.13CX Basic pKa: 5.97CX LogP: 6.42CX LogD: 6.40Aromatic Rings: 5Heavy Atoms: 41QED Weighted: 0.20Np Likeness Score: -1.52
References 1. Cui H, Peng X, Liu J, Ma C, Ji Y, Zhang W, Geng M, Li Y.. (2016) Design, synthesis and biological evaluation of c-Met kinase inhibitors bearing 2-oxo-1,2-dihydroquinoline scaffold., 26 (18): [PMID:27524312 ] [10.1016/j.bmcl.2016.07.077 ]