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2-(2-Methoxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thiazolidin-4-one ID: ALA2386036
Chembl Id: CHEMBL2386036
PubChem CID: 3776248
Max Phase: Preclinical
Molecular Formula: C17H24N2O2S
Molecular Weight: 320.46
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: COc1ccccc1C1SCC(=O)N1CCN1CCCCC1
Standard InChI: InChI=1S/C17H24N2O2S/c1-21-15-8-4-3-7-14(15)17-19(16(20)13-22-17)12-11-18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-13H2,1H3
Standard InChI Key: IYTGDTQBCGMVBH-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: 320.46Molecular Weight (Monoisotopic): 320.1558AlogP: 2.76#Rotatable Bonds: 5Polar Surface Area: 32.78Molecular Species: NEUTRALHBA: 4HBD: 0#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 8.12CX LogP: 2.23CX LogD: 1.44Aromatic Rings: 1Heavy Atoms: 22QED Weighted: 0.84Np Likeness Score: -1.05
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 ]
