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4-Chloro-1-(4-chlorophenyl)-5-phenyl-1H-imidazole ID: ALA4100090
Chembl Id: CHEMBL4100090
PubChem CID: 137659804
Max Phase: Preclinical
Molecular Formula: C15H10Cl2N2
Molecular Weight: 289.17
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Clc1ccc(-n2cnc(Cl)c2-c2ccccc2)cc1
Standard InChI: InChI=1S/C15H10Cl2N2/c16-12-6-8-13(9-7-12)19-10-18-15(17)14(19)11-4-2-1-3-5-11/h1-10H
Standard InChI Key: ISCHXVXMQIOGJB-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: 289.17Molecular Weight (Monoisotopic): 288.0221AlogP: 4.85#Rotatable Bonds: 2Polar Surface Area: 17.82Molecular Species: NEUTRALHBA: 2HBD: 0#RO5 Violations: 0HBA (Lipinski): 2HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 3.34CX LogP: 4.73CX LogD: 4.73Aromatic Rings: 3Heavy Atoms: 19QED Weighted: 0.66Np Likeness Score: -1.13
References 1. Cornec AS, Monti L, Kovalevich J, Makani V, James MJ, Vijayendran KG, Oukoloff K, Yao Y, Lee VM, Trojanowski JQ, Smith AB, Brunden KR, Ballatore C.. (2017) Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases., 60 (12): [PMID:28530811 ] [10.1021/acs.jmedchem.7b00475 ]