DY131   

GtoPdb Ligand ID: 2834

Synonyms: DY-131 | GSK9089
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 64.93
Molecular weight 311.16
XLogP 4.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(c1ccc(cc1)C=NNC(=O)c1ccc(cc1)O)CC
Isomeric SMILES CCN(c1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)O)CC
InChI InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChI Key WLKOCYWYAWBGKY-CPNJWEJPSA-N
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Estrogen-related receptor-γ Hs Agonist Agonist 6.2 pIC50 - 1-2
pIC50 6.2 [1-2]
Estrogen-related receptor-β Hs Agonist Agonist - - - 1
[1]
Targets where the ligand is described in the comment field
Target Comment