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Ligand

NameCHEMBL608000
Molecular formulaC20H26N6O4
IUPAC name(2S,3S,4R)-N-(1-adamantyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight414.466
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50369940
Inchi KeyCPOJGSHCVPOTHR-XMPBIXIQSA-N
Inchi IDInChI=1S/C20H26N6O4/c21-16-12-17(23-7-22-16)26(8-24-12)19-14(28)13(27)15(30-19)18(29)25-20-4-9-1-10(5-20)3-11(2-9)6-20/h7-11,13-15,19,27-28H,1-6H2,(H,25,29)(H2,21,22,23)/t9?,10?,11?,13-,14+,15-,19?,20?/m0/s1
PubChem CID46875317
ChEMBLCHEMBL608000
IUPHARN/A
BindingDB50369940
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
475552-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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