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Ligand

NameCHEMBL1098419
Molecular formulaC12H18ClN4O13P3
IUPAC name[[(2R,3S,4R,5R)-5-[6-chloro-4-(methylamino)imidazo[4,5-c]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight554.662
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-3.8
SynonymsBDBM50318025
((2R,3S,4R,5R)-5-(6-chloro-4-(methylamino)-1H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltriphosphate tetraammonium salt
CHEMBL1199150
Inchi KeyDXQCPTWZCMIQBQ-XYHAGOFUSA-N
Inchi IDInChI=1S/C12H18ClN4O13P3/c1-14-11-8-5(2-7(13)16-11)17(4-15-8)12-10(19)9(18)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,18-19H,3H2,1H3,(H,14,16)(H,23,24)(H,25,26)(H2,20,21,22)/t6-,9-,10-,12-/m1/s1
PubChem CID46222216
ChEMBLN/A
IUPHARN/A
BindingDB50318025
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
71529Uracil nucleotide/cysteinyl leukotriene receptorQ13304GPR17Homo sapiens (Human)367

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