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5-(6-Bromoimidazo[1,2-a]pyridin-2-yl)-2-hydroxybenzamide ID: ALA3908596
Chembl Id: CHEMBL3908596
PubChem CID: 134132677
Max Phase: Preclinical
Molecular Formula: C14H10BrN3O2
Molecular Weight: 332.16
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NC(=O)c1cc(-c2cn3cc(Br)ccc3n2)ccc1O
Standard InChI: InChI=1S/C14H10BrN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
Standard InChI Key: JLJIFIKOVCMCTP-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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: 332.16Molecular Weight (Monoisotopic): 330.9956AlogP: 2.57#Rotatable Bonds: 2Polar Surface Area: 80.62Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 3#RO5 Violations (Lipinski): 0CX Acidic pKa: 7.73CX Basic pKa: 5.32CX LogP: 2.76CX LogD: 2.59Aromatic Rings: 3Heavy Atoms: 20QED Weighted: 0.76Np Likeness Score: -1.55
References 1. Lawson M, Rodrigo J, Baratte B, Robert T, Delehouzé C, Lozach O, Ruchaud S, Bach S, Brion JD, Alami M, Hamze A.. (2016) Synthesis, biological evaluation and molecular modeling studies of imidazo[1,2-a]pyridines derivatives as protein kinase inhibitors., 123 [PMID:27474927 ] [10.1016/j.ejmech.2016.07.040 ]
