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Ligand

NameCHEMBL604764
Molecular formulaC21H25N5O4
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight411.462
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50368180
Inchi KeyAICRLGRGWQHSEQ-MAIGCJKRSA-N
Inchi IDInChI=1S/C21H25N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,10-11,13,15,17-18,21,27-29H,3,5-6,8-9H2,(H,22,23,24)/t13?,15-,17-,18-,21?/m1/s1
PubChem CID46874878
ChEMBLN/A
IUPHARN/A
BindingDB50368180
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6106Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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