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Ligand

NameCHEMBL208530
Molecular formulaC12H17N7O4
IUPAC name[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-yl]urea
Molecular weight323.313
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP-1.0
SynonymsN/A
Inchi KeyAIQSHRQSCKWHCF-HUKYDQBMSA-N
Inchi IDInChI=1S/C12H17N7O4/c1-14-9-7-10(16-3-15-9)19(4-17-7)11-8(21)6(18-12(13)22)5(2-20)23-11/h3-6,8,11,20-21H,2H2,1H3,(H3,13,18,22)(H,14,15,16)/t5-,6-,8-,11-/m1/s1
PubChem CID11645488
ChEMBLCHEMBL208530
IUPHARN/A
BindingDBN/A
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
6462Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
6461Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441939Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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