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1-(3-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one ID: ALA200185
Chembl Id: CHEMBL200185
PubChem CID: 14274449
Max Phase: Preclinical
Molecular Formula: C15H13NO2
Molecular Weight: 239.27
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Nc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1
Standard InChI: InChI=1S/C15H13NO2/c16-13-3-1-2-12(10-13)15(18)9-6-11-4-7-14(17)8-5-11/h1-10,17H,16H2/b9-6+
Standard InChI Key: BSKPFGWIWCBTQC-RMKNXTFCSA-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: 239.27Molecular Weight (Monoisotopic): 239.0946AlogP: 2.87#Rotatable Bonds: 3Polar Surface Area: 63.32Molecular Species: NEUTRALHBA: 3HBD: 2#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.04CX Basic pKa: 3.30CX LogP: 2.76CX LogD: 2.75Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.49Np Likeness Score: 0.09
References 1. Seo WD, Kim JH, Kang JE, Ryu HW, Curtis-Long MJ, Lee HS, Yang MS, Park KH.. (2005) Sulfonamide chalcone as a new class of alpha-glucosidase inhibitors., 15 (24): [PMID:16202584 ] [10.1016/j.bmcl.2005.08.087 ] 2. Jiang L, Liu B, Hou S, Su T, Fan Q, Alyafeai E, Tang Y, Wu M, Liu X, Li J, Hu Y, Li W, Zheng Z, Liu Y, Wu J.. (2022) Discovery and evaluation of chalcone derivatives as novel potential anti-Toxoplasma gondii agents., 234 [PMID:35278752 ] [10.1016/j.ejmech.2022.114244 ]