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Name | CHEMBL464548 |
---|---|
Molecular formula | C25H34N7O8P |
IUPAC name | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[4-[4-(diethoxyphosphorylmethyl)anilino]-4-oxobutyl]-3,4-dihydroxyoxolane-2-carboxamide |
Molecular weight | 591.562 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 5 |
XlogP | -1.0 |
Synonyms | 4-[4-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)butylamido]benzylphosphonic acid diethyl ester BDBM50262373 SCHEMBL13211002 |
Inchi Key | NLEXSAYIQIVTAR-UGCAPWQASA-N |
Inchi ID | InChI=1S/C25H34N7O8P/c1-3-38-41(37,39-4-2)12-15-7-9-16(10-8-15)31-17(33)6-5-11-27-24(36)21-19(34)20(35)25(40-21)32-14-30-18-22(26)28-13-29-23(18)32/h7-10,13-14,19-21,25,34-35H,3-6,11-12H2,1-2H3,(H,27,36)(H,31,33)(H2,26,28,29)/t19-,20+,21-,25+/m0/s1 |
PubChem CID | 24948922 |
ChEMBL | CHEMBL464548 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | 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 |
---|---|---|---|---|---|
226139 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
226141 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
226140 | P2Y purinoceptor 6 | Q63371 | P2ry6 | Rattus norvegicus (Rat) | 328 |
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