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Ligand

NameCHEMBL399018
Molecular formulaC15H20NO15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-methoxy-1-oxoisoquinolin-2-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight547.238
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-3.9
Synonyms({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-methoxy-1-oxo-1,2-dihydroisoquinolin-2-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
BDBM50195830
SCHEMBL6796932
Inchi KeyFUWRAPGYMCKHKL-RGCMKSIDSA-N
Inchi IDInChI=1S/C15H20NO15P3/c1-27-9-3-2-8-4-5-16(14(19)10(8)6-9)15-13(18)12(17)11(29-15)7-28-33(23,24)31-34(25,26)30-32(20,21)22/h2-6,11-13,15,17-18H,7H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t11-,12-,13-,15-/m1/s1
PubChem CID44439760
ChEMBLCHEMBL399018
IUPHARN/A
BindingDB50195830
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
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GLASS IDNameUniProtGeneSpeciesLength
87798P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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