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Ligand

NameCHEMBL494086
Molecular formulaC16H16ClN5O2S
IUPAC name(2R,3R,4S)-2-[6-[(3-chlorophenyl)methylamino]purin-9-yl]thiolane-3,4-diol
Molecular weight377.847
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.7
SynonymsBDBM50252755
SCHEMBL3326435
(2R,3R,4S)-2-(6-(3-Chlorobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol
Inchi KeyCKXSTCOOOXXOLA-AXAPSJFSSA-N
Inchi IDInChI=1S/C16H16ClN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1
PubChem CID25003338
ChEMBLCHEMBL494086
IUPHARN/A
BindingDB50252755
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
44497Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
44496Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
44495Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
44498Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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