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3-(2-(Piperidin-1-yl)ethyl)-2-p-tolylthiazolidin-4-one ID: ALA2386038
Chembl Id: CHEMBL2386038
PubChem CID: 4097763
Max Phase: Preclinical
Molecular Formula: C17H24N2OS
Molecular Weight: 304.46
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1ccc(C2SCC(=O)N2CCN2CCCCC2)cc1
Standard InChI: InChI=1S/C17H24N2OS/c1-14-5-7-15(8-6-14)17-19(16(20)13-21-17)12-11-18-9-3-2-4-10-18/h5-8,17H,2-4,9-13H2,1H3
Standard InChI Key: SNOJDAANBYTPRC-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: 304.46Molecular Weight (Monoisotopic): 304.1609AlogP: 3.05#Rotatable Bonds: 4Polar Surface Area: 23.55Molecular Species: NEUTRALHBA: 3HBD: 0#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 8.24CX LogP: 2.90CX LogD: 2.01Aromatic Rings: 1Heavy Atoms: 21QED Weighted: 0.85Np Likeness Score: -1.27
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 ]
