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Ligand

NameCHEMBL42627
Molecular formulaC17H29N5O9P2S
IUPAC name[5-[2-hexylsulfanyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight541.453
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP0.2
SynonymsBDBM50076458
Phosphoric acid mono-[5-(2-hexylsulfanyl-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester
Inchi KeyBQPHCMZWQUVKCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H29N5O9P2S/c1-3-4-5-6-7-34-17-20-15(18-2)14-16(21-17)22(10-19-14)13-8-11(31-33(26,27)28)12(30-13)9-29-32(23,24)25/h10-13H,3-9H2,1-2H3,(H,18,20,21)(H2,23,24,25)(H2,26,27,28)
PubChem CID44289121
ChEMBLN/A
IUPHARN/A
BindingDB50076458
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558213P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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