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Ligand

NameCHEMBL2331652
Molecular formulaC20H24F2N6O2
IUPAC name6-[3-[6-(1,1-difluoroethyl)pyridin-3-yl]propanoyl]-2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
Molecular weight418.449
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.1
SynonymsBDBM50428097
Inchi KeyBUGSLBZKFVTYIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24F2N6O2/c1-3-24-19-26-14-8-9-28(11-13(14)17(27-19)18(23)30)16(29)7-5-12-4-6-15(25-10-12)20(2,21)22/h4,6,10H,3,5,7-9,11H2,1-2H3,(H2,23,30)(H,24,26,27)
PubChem CID71540077
ChEMBLCHEMBL2331652
IUPHARN/A
BindingDB50428097
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
33017G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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