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Ligand

NameCHEMBL561976
Molecular formulaC16H15BrClN5O3
IUPAC name(2R,3R,4R)-2-[6-[(3-bromophenyl)methylamino]-2-chloropurin-9-yl]oxolane-3,4-diol
Molecular weight440.682
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.0
Synonyms(2r,3r,4r)-2-(2-chloro-6-(3-bromobenzylamino)-9h-purin-9-yl)-tetrahydrofuran-3,4-diol
BDBM50294668
SCHEMBL3325028
(2R,3R,4R)-2-(2-Chloro-6-(3-bromobenzylamino)-9Hpurin-9-yl)-tetrahydrofuran-3,4-diol
Inchi KeyBMUNWGDQGOJGOE-IXPVHAAZSA-N
Inchi IDInChI=1S/C16H15BrClN5O3/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1
PubChem CID25003341
ChEMBLCHEMBL561976
IUPHARN/A
BindingDB50294668
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
27781Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
27780Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
27778Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
27779Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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