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Ligand

NameCHEMBL2089180
Molecular formulaC18H16N2
IUPAC name3-[2-(6-butylpyridin-2-yl)ethynyl]benzonitrile
Molecular weight260.34
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50420360
Inchi KeyAFBPMPLJMLNEHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N2/c1-2-3-8-17-9-5-10-18(20-17)12-11-15-6-4-7-16(13-15)14-19/h4-7,9-10,13H,2-3,8H2,1H3
PubChem CID70697495
ChEMBLCHEMBL2089180
IUPHARN/A
BindingDB50420360
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
4017Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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