| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4215678
Max Phase: Preclinical
Molecular Formula: C23H30O4
Molecular Weight: 370.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C2COc3cc(OCCCCC(C)(C)O)ccc3C2)cc1
Standard InChI: InChI=1S/C23H30O4/c1-23(2,24)12-4-5-13-26-21-11-8-18-14-19(16-27-22(18)15-21)17-6-9-20(25-3)10-7-17/h6-11,15,19,24H,4-5,12-14,16H2,1-3H3
Standard InChI Key: OHZZLQYPPFMXKB-UHFFFAOYSA-N
Associated Targets(non-human)
Estrogen receptor beta 51 Activities
Estrogen receptor alpha 45 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 370.49 | Molecular Weight (Monoisotopic): 370.2144 | AlogP: 4.73 | #Rotatable Bonds: 8 |
| Polar Surface Area: 47.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.51 | CX LogD: 4.51 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.68 | Np Likeness Score: 0.59 |
References
| 1. (2016) 7 (12): [10.1039/C6MD00469E] |
Source
Source(1):