PHCCC   Click here for help

GtoPdb Ligand ID: 1416

Synonyms: (-) PHCCC
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 70.92
Molecular weight 294.1
XLogP 2.22
No. Lipinski's rules broken 0
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Canonical SMILES ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccccc1
Isomeric SMILES O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccccc1
InChI InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15-
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu5 receptor Rn Allosteric modulator Neutral 5.6 pKB - 2
pKB 5.6 [2]
mGlu6 receptor Rn Allosteric modulator Positive 4.8 pEC50 - 1
pEC50 4.8 (EC50 1.5x10-5 M) [1]
mGlu4 receptor Hs Allosteric modulator Positive 4.5 pEC50 - 3
pEC50 4.5 obtained in the presence of L-AP4 [3]
mGlu1 receptor Hs Allosteric modulator Positive - - -