fusilade
AlkaPlorer ID: AK261314
Synonym: None
IUPAC Name: butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
Structure
SMILES: CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C(F)(F)F)C=N2)C=C1
InChI: InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
InChIKey: VAIZTNZGPYBOGF-CYBMUJFWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 383.366
TPSA？: 57.650000000000006
MolLogP？: 5.003300000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Clonostachys rosea | Clonostachys rosea | GI | 3.6 | % | 10.1584/jpestics.D11-055 |
| Clonostachys rosea | Clonostachys rosea | Inhibition | 2.2 | % | 10.1584/jpestics.D11-055 |
| Homo sapiens | Androgen Receptor | Potency | 25118.9 | nM | None |
| Homo sapiens | Bile acid receptor FXR | Potency | 4.0 | nM | None |
| Homo sapiens | Estrogen receptor alpha | Potency | 1584.9 | nM | None |
| Homo sapiens | Glucocorticoid receptor | Potency | 25118.9 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 44668.4 | nM | None |
| None | Molecular identity unknown | Potency | 50118.7 | nM | None |