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Ligand

NameCHEMBL1162157
Molecular formulaC27H32N4O23P4
IUPAC name[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight904.453
Hydrogen bond acceptor23
Hydrogen bond donor8
XlogP-6.0
SynonymsBDBM50371574
Inchi KeyDONCKZVPIFVLNP-IKEXYPAYSA-N
Inchi IDInChI=1S/C27H32N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-11,15-16,19-25,34-35H,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/b7-6+/t15-,16+,19?,20-,21-,22+,23+,24-,25+/m0/s1
PubChem CID44457247
ChEMBLCHEMBL1162157
IUPHARN/A
BindingDB50371574
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
65132P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
65131P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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