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Ligand

NameCHEMBL609774
Molecular formulaC20H26N6O4
IUPAC name(2S,3S,4R)-N-(2-adamantyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight414.466
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50369939
Inchi KeyQGZRXXNUTHHOES-GSTYMQATSA-N
Inchi IDInChI=1S/C20H26N6O4/c21-17-13-18(23-6-22-17)26(7-24-13)20-15(28)14(27)16(30-20)19(29)25-12-10-2-8-1-9(4-10)5-11(12)3-8/h6-12,14-16,20,27-28H,1-5H2,(H,25,29)(H2,21,22,23)/t8?,9?,10?,11?,12?,14-,15+,16-,20?/m0/s1
PubChem CID46875347
ChEMBLCHEMBL609774
IUPHARN/A
BindingDB50369939
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
2780812-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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