MPEP   Click here for help

GtoPdb Ligand ID: 1426

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 12.89
Molecular weight 193.09
XLogP 3.77
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cccc(n1)C#Cc1ccccc1
Isomeric SMILES Cc1cccc(n1)C#Cc1ccccc1
InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu4 receptor Hs Allosteric modulator Positive 6.3 – 6.6 pEC50 - 3
pEC50 6.3 – 6.6 (EC50 5.5x10-7 – 2.6x10-7 M) obtained in the presence of L-AP4 [3]
mGlu5 receptor Hs Allosteric modulator Negative 7.4 – 7.7 pIC50 - 1-2
pIC50 7.4 – 7.7 [1-2]