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6-(2-phenylthiazol-4-yl)benzo[d]oxazol-2(3H)-one ID: ALA3314457
Chembl Id: CHEMBL3314457
PubChem CID: 17456979
Max Phase: Preclinical
Molecular Formula: C16H10N2O2S
Molecular Weight: 294.34
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=c1[nH]c2ccc(-c3csc(-c4ccccc4)n3)cc2o1
Standard InChI: InChI=1S/C16H10N2O2S/c19-16-18-12-7-6-11(8-14(12)20-16)13-9-21-15(17-13)10-4-2-1-3-5-10/h1-9H,(H,18,19)
Standard InChI Key: RMEJCJLXNUJECC-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: 294.34Molecular Weight (Monoisotopic): 294.0463AlogP: 3.91#Rotatable Bonds: 2Polar Surface Area: 58.89Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.40CX Basic pKa: 1.59CX LogP: 4.05CX LogD: 4.04Aromatic Rings: 4Heavy Atoms: 21QED Weighted: 0.61Np Likeness Score: -1.40
References 1. Cheeseman MD, Faisal A, Rayter S, Barbeau OR, Kalusa A, Westlake M, Burke R, Swan M, van Montfort R, Linardopoulos S, Jones K.. (2014) Targeting the PPM1D phenotype; 2,4-bisarylthiazoles cause highly selective apoptosis in PPM1D amplified cell-lines., 24 (15): [PMID:24953599 ] [10.1016/j.bmcl.2014.05.067 ]