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Name | CHEMBL217467 |
---|---|
Molecular formula | C10H14BrCl2N2O14P3 |
IUPAC name | [[[[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid |
Molecular weight | 629.947 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 7 |
XlogP | -4.1 |
Synonyms | BDBM50199186 5-bromouridine-5''-uridylic acid (1,1-dichloro-1-phosphonomethyl-1-phosphonyl)anhydride |
Inchi Key | KMOKHPPESJJVPB-UAKXSSHOSA-N |
Inchi ID | InChI=1S/C10H14BrCl2N2O14P3/c11-3-1-15(9(19)14-7(3)18)8-6(17)5(16)4(28-8)2-27-32(25,26)29-31(23,24)10(12,13)30(20,21)22/h1,4-6,8,16-17H,2H2,(H,23,24)(H,25,26)(H,14,18,19)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1 |
PubChem CID | 11993891 |
ChEMBL | CHEMBL217467 |
IUPHAR | N/A |
BindingDB | 50199186 |
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 |
---|---|---|---|---|---|
172854 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
172855 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
172856 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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