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Ligand

NameCHEMBL239814
Molecular formulaC14H22NO14P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(1-oxo-5,6,7,8-tetrahydroisoquinolin-2-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight521.244
Hydrogen bond acceptor14
Hydrogen bond donor6
XlogP-4.0
SynonymsBDBM50195827
SCHEMBL6800439
({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(1-oxo-1,2,5,6,7,8-hexahydroisoquinolin-2-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Inchi KeyBXYVFXVHWLQNDH-HKUMRIAESA-N
Inchi IDInChI=1S/C14H22NO14P3/c16-11-10(7-26-31(22,23)29-32(24,25)28-30(19,20)21)27-14(12(11)17)15-6-5-8-3-1-2-4-9(8)13(15)18/h5-6,10-12,14,16-17H,1-4,7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t10-,11-,12-,14-/m1/s1
PubChem CID44439745
ChEMBLCHEMBL239814
IUPHARN/A
BindingDB50195827
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
35578P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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