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Ligand

Name205171-06-8
Molecular formulaC16H23N5O4
IUPAC name(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular weight349.391
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.3
SynonymsN-Cyclopentyl-2'-C-methyl-adenosine
(2R,3R,4R,5R)-2-(6-(Cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol
CHEMBL400189
SCHEMBL6382804
CTK4E4415
[ Show all ]
Inchi KeyBVOLJUDYJILMMW-QTDMDRALSA-N
Inchi IDInChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1
PubChem CID9946338
ChEMBLCHEMBL400189
IUPHARN/A
BindingDB50224775
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33919Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
33922Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
33924Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
558317Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
33920Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
33921Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
33923Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
33925Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
442981Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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