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Ligand

NameCHEMBL3410309
Molecular formulaC19H21N5O3
IUPAC nameethyl 6-[(4-methylbenzoyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
Molecular weight367.409
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50072942
Inchi KeyAISSNBLVMLYLSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N5O3/c1-5-27-18(26)15-14-10-24(11(2)3)23-16(14)21-19(20-15)22-17(25)13-8-6-12(4)7-9-13/h6-11H,5H2,1-4H3,(H,21,22,23,25)
PubChem CID118732293
ChEMBLCHEMBL3410309
IUPHARN/A
BindingDB50072942
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
441945Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
441946Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441947Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441948Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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