LSN2463359   Click here for help

GtoPdb Ligand ID: 6394

Synonyms: LSN 2463359
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.88
Molecular weight 265.12
XLogP 2.5
No. Lipinski's rules broken 0
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Canonical SMILES CC(NC(=O)c1ccc(cn1)C#Cc1ccncc1)C
Isomeric SMILES CC(NC(=O)c1ccc(cn1)C#Cc1ccncc1)C
InChI InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu5 receptor Rn Allosteric modulator Positive 6.4 pKi - 1
pKi 6.4 (Ki 3.77x10-7 M) [1]
mGlu5 receptor Rn Allosteric modulator Positive 7.6 pEC50 - 1
pEC50 7.6 (EC50 2.4x10-8 M) [1]
mGlu5 receptor Hs Allosteric modulator Positive 7.5 pEC50 - 1
pEC50 7.5 (EC50 3.3x10-8 M) [1]