| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4217424
Max Phase: Preclinical
Molecular Formula: C24H32O4
Molecular Weight: 384.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C2COc3cc(OCCCCCC(C)(C)O)ccc3C2)cc1
Standard InChI: InChI=1S/C24H32O4/c1-24(2,25)13-5-4-6-14-27-22-12-9-19-15-20(17-28-23(19)16-22)18-7-10-21(26-3)11-8-18/h7-12,16,20,25H,4-6,13-15,17H2,1-3H3
Standard InChI Key: FWOVRULYSFOLSC-UHFFFAOYSA-N
Associated Targets(non-human)
Estrogen receptor beta 51 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: 384.52 | Molecular Weight (Monoisotopic): 384.2301 | AlogP: 5.12 | #Rotatable Bonds: 9 |
| Polar Surface Area: 47.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.96 | CX LogD: 4.96 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.61 | Np Likeness Score: 0.61 |
References
| 1. (2016) 7 (12): [10.1039/C6MD00469E] |
Source
Source(1):