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Ligand

NameCHEMBL297685
Molecular formulaC19H18FN5O
IUPAC name1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol
Molecular weight351.385
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
Synonyms1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl]-1-cyclopentanol
1-{2-(6-Amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol
BDBM50095790
1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanol
LPAMCBPWGRTOCP-UHFFFAOYSA-N
[ Show all ]
Inchi KeyLPAMCBPWGRTOCP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23)
PubChem CID9841364
ChEMBLCHEMBL297685
IUPHARN/A
BindingDB50095790
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
192877Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
192878Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
192880Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
192881Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
192879Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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