SIB-1757   Click here for help

GtoPdb Ligand ID: 1431

Synonyms: SIB1757
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 57.84
Molecular weight 213.09
XLogP 3.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(c(n1)N=Nc1ccccc1)O
Isomeric SMILES Cc1ccc(c(n1)/N=N/c1ccccc1)O
InChI InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3/b15-14+
InChI Key LOCPVWIREQIGNQ-CCEZHUSRSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu5 receptor Hs Allosteric modulator Negative 6.0 – 6.4 pIC50 - 1-2
pIC50 6.0 – 6.4 [1-2]