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2-Hydroxy-5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)benzamide ID: ALA3962894
Chembl Id: CHEMBL3962894
PubChem CID: 134152098
Max Phase: Preclinical
Molecular Formula: C14H11N3O3
Molecular Weight: 269.26
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NC(=O)c1cc(-c2cn3cc(O)ccc3n2)ccc1O
Standard InChI: InChI=1S/C14H11N3O3/c15-14(20)10-5-8(1-3-12(10)19)11-7-17-6-9(18)2-4-13(17)16-11/h1-7,18-19H,(H2,15,20)
Standard InChI Key: JPSJWJIHWSYPQG-UHFFFAOYSA-N
Associated Targets(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: 269.26Molecular Weight (Monoisotopic): 269.0800AlogP: 1.51#Rotatable Bonds: 2Polar Surface Area: 100.85Molecular Species: NEUTRALHBA: 5HBD: 3#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 4#RO5 Violations (Lipinski): 0CX Acidic pKa: 7.73CX Basic pKa: 5.81CX LogP: 1.57CX LogD: 1.49Aromatic Rings: 3Heavy Atoms: 20QED Weighted: 0.66Np Likeness Score: -1.13
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 ]
