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2-(2-Hydroxyphenyl)-N-(2-oxo-2-(phenylamino)ethyl)oxazole-4-carboxamide ID: ALA3736503
Chembl Id: CHEMBL3736503
PubChem CID: 137058920
Max Phase: Preclinical
Molecular Formula: C18H15N3O4
Molecular Weight: 337.34
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(CNC(=O)c1coc(-c2ccccc2O)n1)Nc1ccccc1
Standard InChI: InChI=1S/C18H15N3O4/c22-15-9-5-4-8-13(15)18-21-14(11-25-18)17(24)19-10-16(23)20-12-6-2-1-3-7-12/h1-9,11,22H,10H2,(H,19,24)(H,20,23)
Standard InChI Key: OLVXQLDMNFRHBM-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: 337.34Molecular Weight (Monoisotopic): 337.1063AlogP: 2.42#Rotatable Bonds: 5Polar Surface Area: 104.46Molecular Species: NEUTRALHBA: 5HBD: 3#RO5 Violations: 0HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski): 0CX Acidic pKa: 8.48CX Basic pKa: CX LogP: 2.01CX LogD: 1.97Aromatic Rings: 3Heavy Atoms: 25QED Weighted: 0.66Np Likeness Score: -1.27
References 1. Li Y, Woster PM.. (2015) Discovery of a new class of histone deacetylase inhibitors with a novel zinc binding group., 6 (4): [PMID:26005563 ] [10.1039/c4md00401a ]
