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Name | CHEMBL469067 |
---|---|
Molecular formula | C17H27N4O10P |
IUPAC name | (2S,3S,4R,5R)-N-[3-(diethoxyphosphorylmethylamino)-3-oxopropyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide |
Molecular weight | 478.395 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 5 |
XlogP | -3.0 |
Synonyms | BDBM50262310 SCHEMBL13210979 3-[(2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido]propylamidomethylphosphonic acid diethyl ester |
Inchi Key | LNADEPBVKWCVTJ-KNCOVGOOSA-N |
Inchi ID | InChI=1S/C17H27N4O10P/c1-3-29-32(28,30-4-2)9-19-10(22)5-7-18-15(26)14-12(24)13(25)16(31-14)21-8-6-11(23)20-17(21)27/h6,8,12-14,16,24-25H,3-5,7,9H2,1-2H3,(H,18,26)(H,19,22)(H,20,23,27)/t12-,13+,14-,16+/m0/s1 |
PubChem CID | 24948920 |
ChEMBL | CHEMBL469067 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
191427 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
191426 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
191425 | P2Y purinoceptor 6 | Q63371 | P2ry6 | Rattus norvegicus (Rat) | 328 |
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