| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4639465
Max Phase: Preclinical
Molecular Formula: C27H37NO2
Molecular Weight: 407.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCN(C)C(=O)CCCCC/C(=C(/C)c1ccc(OC)cc1)c1ccccc1
Standard InChI: InChI=1S/C27H37NO2/c1-5-6-21-28(3)27(29)16-12-8-11-15-26(24-13-9-7-10-14-24)22(2)23-17-19-25(30-4)20-18-23/h7,9-10,13-14,17-20H,5-6,8,11-12,15-16,21H2,1-4H3/b26-22+
Standard InChI Key: KYNSWRKEJXWIQO-XTCLZLMSSA-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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Mus musculus 284745 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 |
|---|
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: 407.60 | Molecular Weight (Monoisotopic): 407.2824 | AlogP: 6.83 | #Rotatable Bonds: 12 |
| 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: 6.62 | CX LogD: 6.62 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.28 | Np Likeness Score: -0.52 |
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):