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Ligand

NameCHEMBL239573
Molecular formulaC16H22FN2O14P3
IUPAC name[[(2R,3S,4R,5R)-5-[6-(dimethylamino)-7-fluoro-1-oxoisoquinolin-2-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight578.272
Hydrogen bond acceptor16
Hydrogen bond donor6
XlogP-3.6
SynonymsBDBM50195845
SCHEMBL6794089
({[({[(2R,3S,4R,5R)-5-[6-(dimethylamino)-7-fluoro-1-oxo-1,2-dihydroisoquinolin-2-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Inchi KeyBRROWKLRYCFEHH-IXYNUQLISA-N
Inchi IDInChI=1S/C16H22FN2O14P3/c1-18(2)11-5-8-3-4-19(15(22)9(8)6-10(11)17)16-14(21)13(20)12(31-16)7-30-35(26,27)33-36(28,29)32-34(23,24)25/h3-6,12-14,16,20-21H,7H2,1-2H3,(H,26,27)(H,28,29)(H2,23,24,25)/t12-,13-,14-,16-/m1/s1
PubChem CID44439766
ChEMBLCHEMBL239573
IUPHARN/A
BindingDB50195845
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
31288P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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