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Ligand

NameCHEMBL496875
Molecular formulaC16H16N2
IUPAC name2-tert-butyl-5-(2-phenylethynyl)pyrimidine
Molecular weight236.318
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.9
Synonyms2-tert-butyl-5-(phenylethynyl)pyrimidine
BDBM50278927
Inchi KeyAHFHADPMRBFYSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16N2/c1-16(2,3)15-17-11-14(12-18-15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,1-3H3
PubChem CID44190038
ChEMBLCHEMBL496875
IUPHARN/A
BindingDB50278927
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
5493Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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