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Ligand

NameCHEMBL608296
Molecular formulaC18H28N6O4
IUPAC name(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-octyloxolane-2-carboxamide
Molecular weight392.46
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.4
SynonymsBDBM50369947
Inchi KeyMCDJAMMIINNDNH-CDJKEZFESA-N
Inchi IDInChI=1S/C18H28N6O4/c1-2-3-4-5-6-7-8-20-17(27)14-12(25)13(26)18(28-14)24-10-23-11-15(19)21-9-22-16(11)24/h9-10,12-14,18,25-26H,2-8H2,1H3,(H,20,27)(H2,19,21,22)/t12-,13+,14-,18?/m0/s1
PubChem CID46875326
ChEMBLCHEMBL608296
IUPHARN/A
BindingDB50369947
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
2018892-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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