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Name | CHEMBL1767421 |
---|---|
Molecular formula | C17H21N2O8PS |
IUPAC name | [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Molecular weight | 444.395 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 0.1 |
Synonyms | BDBM50341891 2-Phenylethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate |
Inchi Key | DKLOPLNHUFXHPV-DTZQCDIJSA-N |
Inchi ID | InChI=1S/C17H21N2O8PS/c20-13-6-8-19(17(18-13)29-9-7-11-4-2-1-3-5-11)16-15(22)14(21)12(27-16)10-26-28(23,24)25/h1-6,8,12,14-16,21-22H,7,9-10H2,(H2,23,24,25)/t12-,14-,15-,16-/m1/s1 |
PubChem CID | 52952494 |
ChEMBL | CHEMBL1767421 |
IUPHAR | N/A |
BindingDB | 50341891 |
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 |
---|---|---|---|---|---|
62391 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
62392 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
62393 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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