| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4793015
Max Phase: Preclinical
Molecular Formula: C23H32N2O5
Molecular Weight: 416.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12C(=O)N(CCCC(=O)O)c1ccccc12
Standard InChI: InChI=1S/C23H32N2O5/c1-15(2)19-23(12-14-25(19)21(29)30-22(3,4)5)16-9-6-7-10-17(16)24(20(23)28)13-8-11-18(26)27/h6-7,9-10,15,19H,8,11-14H2,1-5H3,(H,26,27)/t19-,23-/m0/s1
Standard InChI Key: ISJZEHIHMVOOKS-CVDCTZTESA-N
Associated Targets(Human)
LXR-beta 3841 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 416.52 | Molecular Weight (Monoisotopic): 416.2311 | AlogP: 3.80 | #Rotatable Bonds: 5 |
| Polar Surface Area: 87.15 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.14 | CX Basic pKa: | CX LogP: 3.20 | CX LogD: 0.12 |
| Aromatic Rings: 1 | Heavy Atoms: 30 | QED Weighted: 0.79 | Np Likeness Score: -0.01 |
References
| 1. Chen Z,Chen H,Zhang Z,Ding P,Yan X,Li Y,Zhang S,Gu Q,Zhou H,Xu J. (2020) Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors., 206 [PMID:32961480] [10.1016/j.ejmech.2020.112793] |
Source
Source(1):