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Ligand

NameAC1NO6UM
Molecular formulaC20H25ClN6OS
IUPAC name2-[[5-(2-chlorophenyl)-4-imino-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N,N-diethylbutanamide
Molecular weight432.971
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
Synonyms2-[4-amino-5-(2-chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylbutanamide
2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio}-N,N-diethylbutanamide
AKOS002118523
AKOS021672619
CHEMBL1396837
[ Show all ]
Inchi KeyAFXJCUFNEDDTMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25ClN6OS/c1-5-15(19(28)26(6-2)7-3)29-20-23-18-16(12(4)24-25-18)17(22)27(20)14-11-9-8-10-13(14)21/h8-11,15,22H,5-7H2,1-4H3,(H,24,25)
PubChem CID135407490
ChEMBLCHEMBL1396837
IUPHARN/A
BindingDBN/A
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
557410Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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