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Ligand

NameCHEMBL241320
Molecular formulaC14H17FNO14P3
IUPAC name[[(2R,3S,4R,5R)-5-(6-fluoro-1-oxoisoquinolin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight535.203
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-3.7
SynonymsBDBM50195832
SCHEMBL6803092
({[({[(2R,3S,4R,5R)-5-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Inchi KeyBQHFXSXRGZRLBR-HKUMRIAESA-N
Inchi IDInChI=1S/C14H17FNO14P3/c15-8-1-2-9-7(5-8)3-4-16(13(9)19)14-12(18)11(17)10(28-14)6-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-5,10-12,14,17-18H,6H2,(H,23,24)(H,25,26)(H2,20,21,22)/t10-,11-,12-,14-/m1/s1
PubChem CID44439754
ChEMBLCHEMBL241320
IUPHARN/A
BindingDB50195832
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
30282P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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