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2-(3-Hydroxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thiazolidin-4-one ID: ALA2386034
Chembl Id: CHEMBL2386034
PubChem CID: 71696916
Max Phase: Preclinical
Molecular Formula: C16H22N2O2S
Molecular Weight: 306.43
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C1CSC(c2cccc(O)c2)N1CCN1CCCCC1
Standard InChI: InChI=1S/C16H22N2O2S/c19-14-6-4-5-13(11-14)16-18(15(20)12-21-16)10-9-17-7-2-1-3-8-17/h4-6,11,16,19H,1-3,7-10,12H2
Standard InChI Key: LLEMNSSTIAAZTJ-UHFFFAOYSA-N
Associated Targets(non-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: 306.43Molecular Weight (Monoisotopic): 306.1402AlogP: 2.45#Rotatable Bonds: 4Polar Surface Area: 43.78Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 9.40CX Basic pKa: 8.17CX LogP: 1.87CX LogD: 1.22Aromatic Rings: 1Heavy Atoms: 21QED Weighted: 0.93Np Likeness Score: -0.86
References 1. Kunzler A, Neuenfeldt PD, das Neves AM, Pereira CM, Marques GH, Nascente PS, Fernandes MH, Hübner SO, Cunico W.. (2013) Synthesis, antifungal and cytotoxic activities of 2-aryl-3-((piperidin-1-yl)ethyl)thiazolidinones., 64 [PMID:23644190 ] [10.1016/j.ejmech.2013.03.030 ]
