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Ligand

NameCHEMBL50051
Molecular formulaC18H19N5O2
IUPAC name1-[2-[6-amino-8-(furan-2-yl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight337.383
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.6
Synonyms1-[[8-(2-Furyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethynyl)-cyclohexanol
BDBM50095786
SCHEMBL6941275
Inchi KeyPGKBTOTUGNMPMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19N5O2/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21)
PubChem CID10544916
ChEMBLCHEMBL50051
IUPHARN/A
BindingDB50095786
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
259116Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
259117Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
259114Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
259115Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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