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Ligand

NameCHEMBL2089340
Molecular formulaC21H20ClN5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[2-[2-(2-chlorophenyl)ethynyl]-6-(ethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight409.874
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50420422
Inchi KeyLJBWDPHNRHYITG-KFNRRLBXSA-N
Inchi IDInChI=1S/C21H20ClN5O2/c1-2-23-20-16-21(26-15(25-20)8-7-11-5-3-4-6-14(11)22)27(10-24-16)17-12-9-13(12)18(28)19(17)29/h3-6,10,12-13,17-19,28-29H,2,9H2,1H3,(H,23,25,26)/t12-,13+,17+,18+,19-/m0/s1
PubChem CID70689194
ChEMBLCHEMBL2089340
IUPHARN/A
BindingDB50420422
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
188774Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
188777Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
188773Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
188775Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
188772Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
188776Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
449097Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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