| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4637926
Max Phase: Preclinical
Molecular Formula: C26H33NO2
Molecular Weight: 391.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C(C)=C(\CCCCCC(=O)N2CCCC2)c2ccccc2)cc1
Standard InChI: InChI=1S/C26H33NO2/c1-21(22-15-17-24(29-2)18-16-22)25(23-11-5-3-6-12-23)13-7-4-8-14-26(28)27-19-9-10-20-27/h3,5-6,11-12,15-18H,4,7-10,13-14,19-20H2,1-2H3/b25-21+
Standard InChI Key: NKHIIHUVANQDKB-NJNXFGOHSA-N
Associated Targets(Human)
MCF7 126967 Activities
Associated Targets(non-human)
Estrogen receptor beta 51 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 391.56 | Molecular Weight (Monoisotopic): 391.2511 | AlogP: 6.20 | #Rotatable Bonds: 9 |
| 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: 5.70 | CX LogD: 5.70 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.38 | Np Likeness Score: -0.41 |
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):