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Name | CHEMBL320073 |
---|---|
Molecular formula | C12H17ClN5O6P |
IUPAC name | [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] acetate |
Molecular weight | 393.721 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | -0.4 |
Synonyms | 2-Chloro-9-[2-(acetoxymethyl)-3-(phosphonooxy)propyl]-N-methyl-9H-purine-6-amine Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-propyl ester BDBM50104027 Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonomethyl-propyl ester |
Inchi Key | GRNDXUPUOYPZJB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H17ClN5O6P/c1-7(19)23-4-8(5-24-25(20,21)22)3-18-6-15-9-10(14-2)16-12(13)17-11(9)18/h6,8H,3-5H2,1-2H3,(H,14,16,17)(H2,20,21,22) |
PubChem CID | 11811300 |
ChEMBL | CHEMBL320073 |
IUPHAR | N/A |
BindingDB | 50104027 |
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 |
---|---|---|---|---|---|
103550 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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