| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1794869
Max Phase: Preclinical
Molecular Formula: C48H40F12N4O6S2
Molecular Weight: 1060.98
Molecule Type: Small molecule
Associated Items:
Representations
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
Associated Targets(non-human)
Acyl coenzyme A:cholesterol acyltransferase 1 2344 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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 |
|---|
Properties
| Molecular Weight: 1060.98 | Molecular Weight (Monoisotopic): 1060.2198 | AlogP: | #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] |
Source
Source(1):