| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4632366
Max Phase: Preclinical
Molecular Formula: C25H33NO2
Molecular Weight: 379.54
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCN(C)C(=O)CCC/C(=C(/C)c1ccc(OC)cc1)c1ccccc1
Standard InChI: InChI=1S/C25H33NO2/c1-5-6-19-26(3)25(27)14-10-13-24(22-11-8-7-9-12-22)20(2)21-15-17-23(28-4)18-16-21/h7-9,11-12,15-18H,5-6,10,13-14,19H2,1-4H3/b24-20+
Standard InChI Key: ZOQGYZWUAQINOT-HIXSDJFHSA-N
Associated Targets(non-human)
Estrogen receptor beta 51 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 379.54 | Molecular Weight (Monoisotopic): 379.2511 | AlogP: 6.05 | #Rotatable Bonds: 10 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.73 | CX LogD: 5.73 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.47 | Np Likeness Score: -0.63 |
References
| 1. Imran Ahamad M, Prakash R, John AA, Wani Z, Yadav D, Bawankule DU, Luqman S, Khan F, Singh D, Gupta A.. (2020) Induced osteoblast differentiation by amide derivatives of stilbene: The possible osteogenic agents., 30 (11): [PMID:32247734] [10.1016/j.bmcl.2020.127138] |
Source
Source(1):