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Ligand

NameCHEMBL3410310
Molecular formulaC20H22FN5O3
IUPAC nameethyl 2-(2,2-dimethylpropyl)-6-[(4-fluorobenzoyl)amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate
Molecular weight399.426
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50072943
Inchi KeyAOHCYMLALZJVBO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22FN5O3/c1-5-29-18(28)15-14-10-26(11-20(2,3)4)25-16(14)23-19(22-15)24-17(27)12-6-8-13(21)9-7-12/h6-10H,5,11H2,1-4H3,(H,23,24,25,27)
PubChem CID118732294
ChEMBLCHEMBL3410310
IUPHARN/A
BindingDB50072943
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
442107Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
442109Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
442106Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
442108Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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