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Ligand

NameCHEMBL3261368
Molecular formulaC18H25N4O17P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-[3-(4-nitrophenyl)propoxyamino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight662.33
Hydrogen bond acceptor17
Hydrogen bond donor7
XlogP-3.9
SynonymsBDBM50012977
Inchi KeyFDWSSYHSADJRQV-MWQQHZPXSA-N
Inchi IDInChI=1S/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-8-7-14(19-18(21)25)20-35-9-1-2-11-3-5-12(6-4-11)22(26)27/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/m1/s1
PubChem CID90656219
ChEMBLCHEMBL3261368
IUPHARN/A
BindingDB50012977
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
75981P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
75983P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
75982P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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