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ID: ALA4864800
Max Phase: Preclinical
Molecular Formula: C13H14FN3O
Molecular Weight: 247.27
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: O=c1cc(N2CCNCC2)c2cc(F)ccc2[nH]1
Standard InChI: InChI=1S/C13H14FN3O/c14-9-1-2-11-10(7-9)12(8-13(18)16-11)17-5-3-15-4-6-17/h1-2,7-8,15H,3-6H2,(H,16,18)
Standard InChI Key: ODPIHPCCOSWGME-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
Properties Molecular Weight: 247.27Molecular Weight (Monoisotopic): 247.1121AlogP: 1.08#Rotatable Bonds: 1Polar Surface Area: 48.13Molecular Species: BASEHBA: 3HBD: 2#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: 13.64CX Basic pKa: 8.93CX LogP: 0.63CX LogD: -0.91Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.79Np Likeness Score: -1.09
References 1. Hassan A, Badr M, Hassan HA, Abdelhamid D, Abuo-Rahma GEA.. (2021) Novel 4-(piperazin-1-yl)quinolin-2(1H)-one bearing thiazoles with antiproliferative activity through VEGFR-2-TK inhibition., 40 [PMID:33962153 ] [10.1016/j.bmc.2021.116168 ]
