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4-[[4-[[4-(2,6-dihydroxy-4-oxo-pyran-3-yl)thiazol-2-yl]amino]phenyl]methyl]oxazolidin-2-one ID: ALA5283946
Chembl Id: CHEMBL5283946
Max Phase: Preclinical
Molecular Formula: C18H15N3O6S
Molecular Weight: 401.40
Associated Items:
Names and Identifiers Canonical SMILES: O=C1NC(Cc2ccc(Nc3nc(-c4c(O)oc(O)cc4=O)cs3)cc2)CO1
Standard InChI: InChI=1S/C18H15N3O6S/c22-13-6-14(23)27-16(24)15(13)12-8-28-17(21-12)19-10-3-1-9(2-4-10)5-11-7-26-18(25)20-11/h1-4,6,8,11,23-24H,5,7H2,(H,19,21)(H,20,25)
Standard InChI Key: DWZFXLYNQJONKY-UHFFFAOYSA-N
Associated Targets(non-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: 401.40Molecular Weight (Monoisotopic): 401.0682AlogP: 2.57#Rotatable Bonds: 5Polar Surface Area: 133.92Molecular Species: ACIDHBA: 9HBD: 4#RO5 Violations: 0HBA (Lipinski): 9HBD (Lipinski): 4#RO5 Violations (Lipinski): 0CX Acidic pKa: 4.70CX Basic pKa: CX LogP: 3.44CX LogD: 0.02Aromatic Rings: 3Heavy Atoms: 28QED Weighted: 0.51Np Likeness Score: -0.59
References 1. Zhao Q, Xin L, Liu Y, Liang C, Li J, Jian Y, Li H, Shi Z, Liu H, Cao W.. (2021) Current Landscape and Future Perspective of Oxazolidinone Scaffolds Containing Antibacterial Drugs., 64 (15.0): [PMID:34260235 ] [10.1021/acs.jmedchem.1c00480 ]
