| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3594039
Max Phase: Preclinical
Molecular Formula: C26H21NO7
Molecular Weight: 459.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1OCC(=O)Nc1ccc(-c2coc3cc(OC(C)=O)ccc3c2=O)cc1
Standard InChI: InChI=1S/C26H21NO7/c1-16(28)34-19-11-12-20-24(13-19)32-14-21(26(20)30)17-7-9-18(10-8-17)27-25(29)15-33-23-6-4-3-5-22(23)31-2/h3-14H,15H2,1-2H3,(H,27,29)
Standard InChI Key: GJRYPSCIYKQDJD-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: 459.45 | Molecular Weight (Monoisotopic): 459.1318 | AlogP: 4.41 | #Rotatable Bonds: 7 |
| Polar Surface Area: 104.07 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.45 | CX Basic pKa: | CX LogP: 3.54 | CX LogD: 3.54 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.32 | Np Likeness Score: -0.41 |
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):