Zuclomiphene
AlkaPlorer ID: AK319476
Synonym: None
IUPAC Name: 2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine
Structure
SMILES: CCN(CC)CCOC1=CC=C(/C(=C(\Cl)C2=CC=CC=C2)C2=CC=CC=C2)C=C1
InChI: InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-
InChIKey: GKIRPKYJQBWNGO-QPLCGJKRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Juncus effusus | Juncus | Juncaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.9690000000001
TPSA？: 12.47
MolLogP？: 6.562600000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Calf thymus DNA | rf50 | 20.0 | None | 10.1021/jm00383a011 |
| Bos taurus | Estrogen receptor | Relative affinity | 0.0003 | None | 10.1021/jm00383a011 |
| Homo sapiens | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | Ki | 2.0 | nM | 10.1021/jm049073+ |
| Homo sapiens | HERG | IC50 | 181.97 | nM | 10.1016/j.ejmech.2010.11.042 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -25.73 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 7.32 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | 37860.0 | nM | 10.1021/acs.jmedchem.8b00159 |
| Homo sapiens | Sigma opioid receptor | Ki | 5.0 | nM | 10.1021/jm049073+ |
| Saccharomyces cerevisiae S288c | C-8 sterol isomerase | Ki | 2.0 | nM | 10.1021/jm049073+ |