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N-([1,1'-biphenyl]-4-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-carboxamide ID: ALA5274715
Chembl Id: CHEMBL5274715
Max Phase: Preclinical
Molecular Formula: C19H15NO4
Molecular Weight: 321.33
Associated Items:
Names and Identifiers Canonical SMILES: O=C(NCc1ccc(-c2ccccc2)cc1)c1occc(=O)c1O
Standard InChI: InChI=1S/C19H15NO4/c21-16-10-11-24-18(17(16)22)19(23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,22H,12H2,(H,20,23)
Standard InChI Key: PHBHELQPDZPJEY-UHFFFAOYSA-N
Associated Targets(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: 321.33Molecular Weight (Monoisotopic): 321.1001AlogP: 2.94#Rotatable Bonds: 4Polar Surface Area: 79.54Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: 9.68CX Basic pKa: CX LogP: 2.76CX LogD: 2.76Aromatic Rings: 3Heavy Atoms: 24QED Weighted: 0.77Np Likeness Score: -0.44
References 1. Arshad JZ, Hanif M.. (2022) Hydroxypyrone derivatives in drug discovery: from chelation therapy to rational design of metalloenzyme inhibitors., 13 (10.0): [PMID:36325396 ] [10.1039/d2md00175f ]
