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6-(6-Amino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid (4-Fluoro-3-trifluoromethylphenyl)amide ID: ALA5280119
Chembl Id: CHEMBL5280119
Max Phase: Preclinical
Molecular Formula: C22H14F4N4O2
Molecular Weight: 442.37
Associated Items:
Names and Identifiers Canonical SMILES: Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3c2)ncn1
Standard InChI: InChI=1S/C22H14F4N4O2/c23-18-7-4-13(9-17(18)22(24,25)26)30-21(31)16-3-1-2-12-8-14(5-6-15(12)16)32-20-10-19(27)28-11-29-20/h1-11H,(H,30,31)(H2,27,28,29)
Standard InChI Key: HJFDTNBKNJFDQP-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 442.37Molecular Weight (Monoisotopic): 442.1053AlogP: 5.41#Rotatable Bonds: 4Polar Surface Area: 90.13Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: 1HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): 1CX Acidic pKa: ┄CX Basic pKa: 4.88CX LogP: 5.01CX LogD: 5.01Aromatic Rings: 4Heavy Atoms: 32QED Weighted: 0.41Np Likeness Score: -1.42
References 1. Bold G, Schnell C, Furet P, McSheehy P, Brüggen J, Mestan J, Manley PW, Drückes P, Burglin M, Dürler U, Loretan J, Reuter R, Wartmann M, Theuer A, Bauer-Probst B, Martiny-Baron G, Allegrini P, Goepfert A, Wood J, Littlewood-Evans A.. (2016) A Novel Potent Oral Series of VEGFR2 Inhibitors Abrogate Tumor Growth by Inhibiting Angiogenesis., 59 (1): [PMID:26629594 ] [10.1021/acs.jmedchem.5b01582 ]
