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Name | CHEMBL595076 |
---|---|
Molecular formula | C19H30N4O18P2 |
IUPAC name | [(2R,3R,4S,5S,6S)-6-(2-acetamidoethylcarbamoyl)-3,4,5-trihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate |
Molecular weight | 664.407 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 10 |
XlogP | -7.3 |
Synonyms | BDBM50304037 {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3R,4S,5S,6S)-6-[(2-acetamidoethyl)carbamoyl]-3,4,5-trihydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid |
Inchi Key | NBAKQYQLJXECCT-XALVSQQVSA-N |
Inchi ID | InChI=1S/C19H30N4O18P2/c1-7(24)20-3-4-21-16(31)15-12(28)11(27)14(30)18(39-15)40-43(35,36)41-42(33,34)37-6-8-10(26)13(29)17(38-8)23-5-2-9(25)22-19(23)32/h2,5,8,10-15,17-18,26-30H,3-4,6H2,1H3,(H,20,24)(H,21,31)(H,33,34)(H,35,36)(H,22,25,32)/t8-,10-,11+,12+,13-,14-,15+,17-,18-/m1/s1 |
PubChem CID | 46226446 |
ChEMBL | CHEMBL595076 |
IUPHAR | N/A |
BindingDB | 50304037 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
218951 | P2Y purinoceptor 14 | Q15391 | P2RY14 | Homo sapiens (Human) | 338 |
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