| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4649359
Max Phase: Preclinical
Molecular Formula: C23H29NO2
Molecular Weight: 351.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C(=C/c2ccccc2)CC(=O)N(C(C)C)C(C)C)cc1
Standard InChI: InChI=1S/C23H29NO2/c1-17(2)24(18(3)4)23(25)16-21(15-19-9-7-6-8-10-19)20-11-13-22(26-5)14-12-20/h6-15,17-18H,16H2,1-5H3/b21-15+
Standard InChI Key: JEHQLOWZTUQURP-RCCKNPSSSA-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: 351.49 | Molecular Weight (Monoisotopic): 351.2198 | AlogP: 5.27 | #Rotatable Bonds: 7 |
| 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: 4.77 | CX LogD: 4.77 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.64 | Np Likeness Score: -0.49 |
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):