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Ligand

NameCHEMBL186443
Molecular formulaC19H20N8O4
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(4-pyridin-3-ylpyrazol-1-yl)purin-9-yl]oxolane-3,4-diol
Molecular weight424.421
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP-0.4
SynonymsBDBM50152070
2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-3-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol
Inchi KeyAERVIDMZGBOLAP-PZGKNFOESA-N
Inchi IDInChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-3-2-4-21-5-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
PubChem CID44396478
ChEMBLCHEMBL186443
IUPHARN/A
BindingDB50152070
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3790Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
3789Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441858Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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