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Ligand

NameCHEMBL100440
Molecular formulaC16H25N5O3
IUPAC name1-(2-hydroxycyclohexyl)-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione
Molecular weight335.408
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.6
SynonymsBDBM50040051
1-(2-Hydroxy-cyclohexyl)-4,6-dipropyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
Inchi KeyBGADFHJEBWKORI-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)21(18-17-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3
PubChem CID44331997
ChEMBLCHEMBL100440
IUPHARN/A
BindingDB50040051
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22783Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
22784Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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