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Ligand

NameCHEMBL410105
Molecular formulaC25H25N7O
IUPAC name2-butyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
Molecular weight439.523
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50376922
Inchi KeyGCRHVXYVQWLSJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N7O/c1-3-4-15-31-25(33)22-14-9-17(2)26-24(22)32(31)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)23-27-29-30-28-23/h5-14H,3-4,15-16H2,1-2H3,(H,27,28,29,30)
PubChem CID24827901
ChEMBLCHEMBL410105
IUPHARN/A
BindingDB50376922
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
93194Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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