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Ligand

NameCHEMBL1083262
Molecular formulaC23H31N2O21P3
IUPAC name[[(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] hydrogen phosphate
Molecular weight764.415
Hydrogen bond acceptor21
Hydrogen bond donor9
XlogP-6.1
SynonymsCHEMBL1198838
BDBM50319133
3-Phenacyluridine5''-Glucose-1''-triphosphate TriethylammoniumSalt
Inchi KeyFYHRJYWTXNJXQF-QHYJAAMBSA-N
Inchi IDInChI=1S/C23H31N2O21P3/c26-9-13-16(29)18(31)20(33)22(43-13)44-48(37,38)46-49(39,40)45-47(35,36)41-10-14-17(30)19(32)21(42-14)24-7-6-15(28)25(23(24)34)8-12(27)11-4-2-1-3-5-11/h1-7,13-14,16-22,26,29-33H,8-10H2,(H,35,36)(H,37,38)(H,39,40)/t13-,14-,16-,17-,18+,19-,20-,21-,22-/m1/s1
PubChem CID46830785
ChEMBLN/A
IUPHARN/A
BindingDB50319133
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
90257P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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