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Ligand

NameCHEMBL138172
Molecular formulaC20H22N4O
IUPAC name1-(2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethanone
Molecular weight334.423
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50093612
SCHEMBL5771079
1-(2-Methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-ethanone
Inchi KeyCDMOJXHGXUKXGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O/c1-13(25)16-17(15-9-5-3-6-10-15)23-19-18(16)21-14(2)22-20(19)24-11-7-4-8-12-24/h3,5-6,9-10,23H,4,7-8,11-12H2,1-2H3
PubChem CID10640471
ChEMBLCHEMBL138172
IUPHARN/A
BindingDB50093612
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
39441Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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