diarylpropionitrile   Click here for help

GtoPdb Ligand ID: 2825

Abbreviated name: DPN
Compound class: Synthetic organic
Comment: DPN is an estrogen receptor β selective agonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 64.25
Molecular weight 239.09
XLogP 2.41
No. Lipinski's rules broken 0
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Canonical SMILES N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O
Isomeric SMILES N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O
InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
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 receptor-β Hs Agonist Agonist 8.6 pKi - 1-2
pKi 8.6 [1-2]
Estrogen receptor-β Primary target of this compound Hs Agonist Agonist 9.1 pEC50 - 3
pEC50 9.1 (EC50 8.5x10-10 M) [3]
Estrogen receptor-α Hs Agonist Agonist 7.2 pEC50 - 3
pEC50 7.2 (EC50 6.6x10-8 M) [3]