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(E)-1-(5-chloro-2-hydroxyphenyl)-3-(3-chlorophenyl)prop-2-en-1-one ID: ALA2262117
Chembl Id: CHEMBL2262117
PubChem CID: 13145091
Max Phase: Preclinical
Molecular Formula: C15H10Cl2O2
Molecular Weight: 293.15
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(/C=C/c1cccc(Cl)c1)c1cc(Cl)ccc1O
Standard InChI: InChI=1S/C15H10Cl2O2/c16-11-3-1-2-10(8-11)4-6-14(18)13-9-12(17)5-7-15(13)19/h1-9,19H/b6-4+
Standard InChI Key: ZIQVOGGFHZSARK-GQCTYLIASA-N
Associated Targets(Human) 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: 293.15Molecular Weight (Monoisotopic): 292.0058AlogP: 4.60#Rotatable Bonds: 3Polar Surface Area: 37.30Molecular Species: NEUTRALHBA: 2HBD: 1#RO5 Violations: ┄HBA (Lipinski): 2HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 6.66CX Basic pKa: ┄CX LogP: 5.44CX LogD: 4.65Aromatic Rings: 2Heavy Atoms: 19QED Weighted: 0.66Np Likeness Score: -0.26
References 1. Aryapour H, Riazi GH, Foroumadi A, Ahmadian S, Shafiee A, Karima O, Mahdavi M, Emami S, Sorkhi M, Khodadady S. (2011) Biological evaluation of synthetic analogues of curcumin: chloro-substituted-2-hydroxychalcones as potential inhibitors of tubulin polymerization and cell proliferation, 20 (4): [10.1007/s00044-010-9344-z ]