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Name | CHEMBL518544 |
---|---|
Molecular formula | C23H30N7O8P |
IUPAC name | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide |
Molecular weight | 563.508 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 5 |
XlogP | -1.2 |
Synonyms | SCHEMBL13210992 |
Inchi Key | ZIGQJTCDPMPONX-QPXQOZNCSA-N |
Inchi ID | InChI=1S/C23H30N7O8P/c1-3-36-39(35,37-4-2)10-13-5-7-14(8-6-13)29-15(31)9-25-22(34)19-17(32)18(33)23(38-19)30-12-28-16-20(24)26-11-27-21(16)30/h5-8,11-12,17-19,23,32-33H,3-4,9-10H2,1-2H3,(H,25,34)(H,29,31)(H2,24,26,27)/t17-,18+,19-,23+/m0/s1 |
PubChem CID | 24948921 |
ChEMBL | CHEMBL518544 |
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 |
---|---|---|---|---|---|
429156 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
429157 | P2Y purinoceptor 6 | Q63371 | P2ry6 | Rattus norvegicus (Rat) | 328 |
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