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Ligand

NameCHEMBL444281
Molecular formulaC25H27N5O5
IUPAC name2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide
Molecular weight477.521
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.8
Synonyms2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-hydroxy-phenyl)-acetamide
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-(4-hydroxyphenyl)acetamide
Xanthatin, 1,3-dipropyl-8-[4-[[(4-hydroxy)phenylamino]carbonyl]methoxyphenyl]-
AOXCQJMAPNFAQR-UHFFFAOYSA-N
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-hydroxy-phenyl)-acetamide
[ Show all ]
Inchi KeyAOXCQJMAPNFAQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
PubChem CID541759
ChEMBLCHEMBL444281
IUPHARN/A
BindingDB50021085
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
10667Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
10666Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
10665Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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