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Ligand

NameSMR000130295
Molecular formulaC20H26N6
IUPAC name6-(azepan-1-yl)-4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
Molecular weight350.47
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsMLS000519880
CHEMBL1471346
HMS1621P17
HMS2387O11
AKOS001778657
[ Show all ]
Inchi KeyAHIWFLODAFTAFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N6/c1-13(2)14-7-9-15(10-8-14)17-16-18(21)24-25-19(16)23-20(22-17)26-11-5-3-4-6-12-26/h7-10,13H,3-6,11-12H2,1-2H3,(H3,21,22,23,24,25)
PubChem CID9551520
ChEMBLCHEMBL1471346
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
5593Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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