| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3115942
Max Phase: Preclinical
Molecular Formula: C21H30O3
Molecular Weight: 330.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2cc(COC[C@H](C)[C@@H](O)CCC(C)C)ccc2c1
Standard InChI: InChI=1S/C21H30O3/c1-15(2)5-10-21(22)16(3)13-24-14-17-6-7-19-12-20(23-4)9-8-18(19)11-17/h6-9,11-12,15-16,21-22H,5,10,13-14H2,1-4H3/t16-,21-/m0/s1
Standard InChI Key: MZAPKSOLBXUAIP-KKSFZXQISA-N
Associated Targets(Human)
Liver X receptor 296 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: 330.47 | Molecular Weight (Monoisotopic): 330.2195 | AlogP: 4.80 | #Rotatable Bonds: 9 |
| Polar Surface Area: 38.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.65 | CX LogD: 4.65 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.72 | Np Likeness Score: 0.32 |
References
| 1. Høgmoen Åstrand OA, Gikling I, Sylte I, Rustan AC, Thoresen GH, Rongved P, Kase ET.. (2014) Development of new LXR modulators that regulate LXR target genes and reduce lipogenesis in human cell models., 74 [PMID:24480357] [10.1016/j.ejmech.2014.01.003] |
Source
Source(1):