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Ligand

NameCHEMBL609487
Molecular formulaC20H31N7O5
IUPAC name(2S,3S,4R)-N-(8-acetamidooctyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight449.512
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP0.8
SynonymsBDBM50369952
Inchi KeyKPBXYHTYRSJTOG-BITNSZHFSA-N
Inchi IDInChI=1S/C20H31N7O5/c1-12(28)22-8-6-4-2-3-5-7-9-23-19(31)16-14(29)15(30)20(32-16)27-11-26-13-17(21)24-10-25-18(13)27/h10-11,14-16,20,29-30H,2-9H2,1H3,(H,22,28)(H,23,31)(H2,21,24,25)/t14-,15+,16-,20?/m0/s1
PubChem CID46875342
ChEMBLCHEMBL609487
IUPHARN/A
BindingDB50369952
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
1745922-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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