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6-[4,5-Bis-(4-trifluoromethyl-phenyl)-1H-imidazol-2-ylsulfanylmethyl]-4-hydroxy-4-methyl-tetrahydro-pyran-2-one; compound with 6-[4,5-bis-(4-trifluoromethyl-phenyl)-1H-imidazol-2-ylsulfanylmethyl]-4-hydroxy-4-methyl-tetrahydro-pyran-2-one ID: ALA1794869
Max Phase: Preclinical
Molecular Formula: C48H40F12N4O6S2
Molecular Weight: 1060.98
Molecule Type: Small molecule
This compound is available for customization.
Associated Items:
Names and Identifiers Canonical SMILES: C[C@@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)[nH]2)C1.C[C@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)[nH]2)C1
Standard InChI: InChI=1S/2C24H20F6N2O3S/c2*1-22(34)10-17(35-18(33)11-22)12-36-21-31-19(13-2-6-15(7-3-13)23(25,26)27)20(32-21)14-4-8-16(9-5-14)24(28,29)30/h2*2-9,17,34H,10-12H2,1H3,(H,31,32)/t17-,22+;17-,22-/m11/s1
Standard InChI Key: HCJIKFNBYSDLHJ-KOPLTVOWSA-N
Molfile:
RDKit 2D
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M END 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: 1060.98Molecular Weight (Monoisotopic): 1060.2198AlogP: ┄#Rotatable Bonds: ┄Polar Surface Area: ┄Molecular Species: ┄HBA: ┄HBD: ┄#RO5 Violations: ┄HBA (Lipinski): ┄HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: ┄CX LogD: ┄Aromatic Rings: ┄Heavy Atoms: ┄QED Weighted: ┄Np Likeness Score: ┄
References 1. Harris NV, Smith C, Ashton MJ, Bridge AW, Bush RC, Coffee EC, Dron DI, Harper MF, Lythgoe DJ, Newton CG.. (1992) Acyl-CoA:cholesterol O-acyl transferase (ACAT) inhibitors. 1. 2-(Alkylthio)-4,5-diphenyl-1H-imidazoles as potent inhibitors of ACAT., 35 (23): [PMID:1447739 ] [10.1021/jm00101a016 ]
