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Ligand

NameCHEMBL193421
Molecular formulaC19H21N5O4
IUPAC name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-phenylcyclopropyl)amino]purin-9-yl]oxolane-3,4-diol
Molecular weight383.408
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.6
Synonyms(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-phenyl-cyclopropylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
BDBM50163010
Inchi KeyGAIXIJBBHRACLL-UIKOTCIDSA-N
Inchi IDInChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-11(12)10-4-2-1-3-5-10/h1-5,8-9,11-13,15-16,19,25-27H,6-7H2,(H,20,21,23)/t11?,12?,13-,15-,16-,19-/m1/s1
PubChem CID44401487
ChEMBLCHEMBL193421
IUPHARN/A
BindingDB50163010
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
91661Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
91666Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
91662Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
91663Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
91665Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
91660Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
91664Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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