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Ligand

NameCHEMBL1083261
Molecular formulaC15H24IN2O20P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] hydrogen phosphate
Molecular weight772.177
Hydrogen bond acceptor20
Hydrogen bond donor10
XlogP-7.1
Synonyms5-Iodouridine 5''-Glucose-1''-triphosphate TriethylammoniumSalt
CHEMBL1198888
BDBM50319127
Inchi KeyFVASACQXQZBJAZ-DMXROQJNSA-N
Inchi IDInChI=1S/C15H24IN2O20P3/c16-4-1-18(15(26)17-12(4)25)13-10(23)8(21)6(34-13)3-33-39(27,28)37-41(31,32)38-40(29,30)36-14-11(24)9(22)7(20)5(2-19)35-14/h1,5-11,13-14,19-24H,2-3H2,(H,27,28)(H,29,30)(H,31,32)(H,17,25,26)/t5-,6-,7-,8-,9+,10-,11-,13-,14-/m1/s1
PubChem CID46830784
ChEMBLN/A
IUPHARN/A
BindingDB50319127
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
87914P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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