| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3594033
Max Phase: Preclinical
Molecular Formula: C24H19NO6
Molecular Weight: 417.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1OCC(=O)Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
Standard InChI: InChI=1S/C24H19NO6/c1-29-20-4-2-3-5-21(20)31-14-23(27)25-16-8-6-15(7-9-16)19-13-30-22-12-17(26)10-11-18(22)24(19)28/h2-13,26H,14H2,1H3,(H,25,27)
Standard InChI Key: BJIJVVOTAGZMIK-UHFFFAOYSA-N
Associated Targets(non-human)
Cholesteryl ester transfer protein 233 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: 417.42 | Molecular Weight (Monoisotopic): 417.1212 | AlogP: 4.19 | #Rotatable Bonds: 6 |
| Polar Surface Area: 98.00 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.48 | CX Basic pKa: | CX LogP: 3.63 | CX LogD: 2.68 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: -0.33 |
References
| 1. Wang W, He Y, Xu P, You Q, Xiao H, Xiang H.. (2015) Synthesis and biological evaluation of isoflavone amide derivatives with antihyperlipidemic and preadipocyte antiproliferative activities., 23 (15): [PMID:26145818] [10.1016/j.bmc.2015.06.032] |
Source
Source(1):