| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4218584
Max Phase: Preclinical
Molecular Formula: C24H30O5
Molecular Weight: 398.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)CCCCCOc1ccc2c(c1)OCC(c1ccc(OC)cc1)C2
Standard InChI: InChI=1S/C24H30O5/c1-3-27-24(25)7-5-4-6-14-28-22-13-10-19-15-20(17-29-23(19)16-22)18-8-11-21(26-2)12-9-18/h8-13,16,20H,3-7,14-15,17H2,1-2H3
Standard InChI Key: ANJHCGLMGPLEJO-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: 398.50 | Molecular Weight (Monoisotopic): 398.2093 | AlogP: 4.92 | #Rotatable Bonds: 10 |
| Polar Surface Area: 53.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.88 | CX LogD: 4.88 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.42 | Np Likeness Score: 0.23 |
References
| 1. (2016) 7 (12): [10.1039/C6MD00469E] |
Source
Source(1):