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Ligand

NameCHEMBL609485
Molecular formulaC22H36N6O4
IUPAC name(2S,3S,4R)-5-(6-aminopurin-9-yl)-N-dodecyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight448.568
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.5
SynonymsBDBM50369946
Inchi KeyVDTPBYBUCBOTNQ-OFRRTHGGSA-N
Inchi IDInChI=1S/C22H36N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-24-21(31)18-16(29)17(30)22(32-18)28-14-27-15-19(23)25-13-26-20(15)28/h13-14,16-18,22,29-30H,2-12H2,1H3,(H,24,31)(H2,23,25,26)/t16-,17+,18-,22?/m0/s1
PubChem CID46875266
ChEMBLCHEMBL609485
IUPHARN/A
BindingDB50369946
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
3525562-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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