hydroxyflutamide   

GtoPdb Ligand ID: 2862

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 95.15
Molecular weight 292.07
XLogP 1.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O
Isomeric SMILES O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O
InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
InChI Key YPQLFJODEKMJEF-UHFFFAOYSA-N
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Androgen receptor Hs Antagonist Antagonist 6.6 pEC50 - 1
pEC50 6.6 (EC50 2.54x10-7 M) [1]