N-(4-((2-Amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-1-(3,4-dichlorophenyl)-2-oxo-1, 2-dihydroquinoline-3-carboxamide

ID: ALA4476854

Chembl Id: CHEMBL4476854

PubChem CID: 155538576

Max Phase: Preclinical

Molecular Formula: C27H16Cl3FN4O3

Molecular Weight: 569.81

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  Nc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c3=O)cc2F)c1Cl

Standard InChI:  InChI=1S/C27H16Cl3FN4O3/c28-18-7-6-16(13-19(18)29)35-21-4-2-1-3-14(21)11-17(27(35)37)26(36)34-15-5-8-22(20(31)12-15)38-23-9-10-33-25(32)24(23)30/h1-13H,(H2,32,33)(H,34,36)

Standard InChI Key:  RFPGZGKYPLVDFU-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA4476854

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Associated Targets(Human)

EBC-1 (148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MET Tclin Hepatocyte growth factor receptor (10718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 569.81Molecular Weight (Monoisotopic): 568.0272AlogP: 7.11#Rotatable Bonds: 5
Polar Surface Area: 99.24Molecular Species: NEUTRALHBA: 6HBD: 2
#RO5 Violations: 2HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski): 2
CX Acidic pKa: 13.13CX Basic pKa: 5.97CX LogP: 6.14CX LogD: 6.13
Aromatic Rings: 5Heavy Atoms: 38QED Weighted: 0.23Np 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]

Source