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Name | CHEMBL3261373 |
---|---|
Molecular formula | C14H22N3O15P3 |
IUPAC name | [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(pent-4-ynoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
Molecular weight | 565.257 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 7 |
XlogP | -4.2 |
Synonyms | BDBM50013011 |
Inchi Key | CYLHTYSEZSCXEN-OJAKKHQRSA-N |
Inchi ID | InChI=1S/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/m1/s1 |
PubChem CID | 90656224 |
ChEMBL | CHEMBL3261373 |
IUPHAR | N/A |
BindingDB | 50013011 |
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 |
---|---|---|---|---|---|
53629 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
53631 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
53630 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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