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Name | CHEMBL1083148 |
---|---|
Molecular formula | C17H32N3O14P3 |
IUPAC name | N,N-diethylethanamine;[[(1S,2R,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
Molecular weight | 595.371 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 7 |
XlogP | None |
Synonyms | (S)-Methanocarbauridine5'-Triphosphate TriethylammoniumSalt |
Inchi Key | KIZYLLIBNRZPJA-QJXOTMQHSA-N |
Inchi ID | InChI=1S/C11H17N2O14P3.C6H15N/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20;1-4-7(5-2)6-3/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20);4-6H2,1-3H3/t5-,6-,8+,9+,11-;/m0./s1 |
PubChem CID | 46890062 |
ChEMBL | CHEMBL1083148 |
IUPHAR | N/A |
BindingDB | N/A |
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. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
170306 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
170304 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
170305 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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