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Name | CHEMBL339386 |
---|---|
Molecular formula | C23H24N5O14P3 |
IUPAC name | [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-phenylbenzoate |
Molecular weight | 687.387 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 6 |
XlogP | -1.9 |
Synonyms | BDBM50118219 |
Inchi Key | MUYAADFIZYSSNL-WGQQHEPDSA-N |
Inchi ID | InChI=1S/C23H24N5O14P3/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(40-23(30)15-8-6-14(7-9-15)13-4-2-1-3-5-13)18(29)16(39-22)10-38-44(34,35)42-45(36,37)41-43(31,32)33/h1-9,11-12,16,18-19,22,29H,10H2,(H,34,35)(H,36,37)(H2,24,25,26)(H2,31,32,33)/t16-,18-,19-,22-/m1/s1 |
PubChem CID | 44353592 |
ChEMBL | CHEMBL339386 |
IUPHAR | N/A |
BindingDB | 50118219 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
214762 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
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