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N-(4-((2-Amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-1-(3,5-dimethoxyphenyl)-2-oxo-1, 2-dihydroquinoline-3-carboxamide ID: ALA4542515
Chembl Id: CHEMBL4542515
PubChem CID: 155550990
Max Phase: Preclinical
Molecular Formula: C29H22ClFN4O5
Molecular Weight: 560.97
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: COc1cc(OC)cc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)cc3ccccc32)c1
Standard InChI: InChI=1S/C29H22ClFN4O5/c1-38-19-13-18(14-20(15-19)39-2)35-23-6-4-3-5-16(23)11-21(29(35)37)28(36)34-17-7-8-24(22(31)12-17)40-25-9-10-33-27(32)26(25)30/h3-15H,1-2H3,(H2,32,33)(H,34,36)
Standard InChI Key: HAAKBQYVERMZME-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: 560.97Molecular Weight (Monoisotopic): 560.1263AlogP: 5.82#Rotatable Bonds: 7Polar Surface Area: 117.70Molecular Species: NEUTRALHBA: 8HBD: 2#RO5 Violations: 2HBA (Lipinski): 9HBD (Lipinski): 3#RO5 Violations (Lipinski): 2CX Acidic pKa: 13.13CX Basic pKa: 5.97CX LogP: 4.62CX LogD: 4.61Aromatic Rings: 5Heavy Atoms: 40QED Weighted: 0.26Np Likeness Score: -1.22
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 ]