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Ligand

NameCHEMBL3144170
Molecular formulaC17H29N5O9P2S
IUPAC name[(2R,3S,5R)-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
SynonymsN-Methyl-2-(hexylthio)-2'-deoxyadenosine 3',5'-bisphosphoric acid
Inchi KeyBQPHCMZWQUVKCW-YNEHKIRRSA-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)/t11-,12+,13+/m0/s1
PubChem CID10626291
ChEMBLCHEMBL3144170
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
30523P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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