| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2093117
Max Phase: Preclinical
Molecular Formula: C19H24O
Molecular Weight: 268.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [2H]C([2H])=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Standard InChI: InChI=1S/C19H24O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11,16-18,20H,1,3-4,6,8-10H2,2H3/t16-,17-,18+,19-/m1/s1/i1D2
Standard InChI Key: ZNDIUTIVPDDBNJ-WGKWFFQASA-N
Associated Targets(non-human)
Estrogen receptor 1901 Activities
Rattus norvegicus 775804 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: 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 |
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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: 268.40 | Molecular Weight (Monoisotopic): 268.1827 | AlogP: 4.80 | #Rotatable Bonds: 0 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.33 | CX Basic pKa: | CX LogP: 4.92 | CX LogD: 4.92 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.67 | Np Likeness Score: 2.39 |
References
| 1. Peters RH, Crowe DF, Avery MA, Chong WK, Tanabe M.. (1989) 17-Desoxy estrogen analogues., 32 (7): [PMID:2738897] [10.1021/jm00127a040] |
Source
Source(1):