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Name | CHEMBL274496 |
---|---|
Molecular formula | C12H18ClN5O8P2 |
IUPAC name | [(1S,3S)-2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-(phosphonooxymethyl)cyclopropyl]methyl dihydrogen phosphate |
Molecular weight | 457.701 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 5 |
XlogP | -1.7 |
Synonyms | BDBM50104023 2-Chloro-9-[[(1beta)-2alpha,3beta-bis(phosphonooxymethyl)cyclopropyl]methyl]-N-methyl-9H-purine-6-amine |
Inchi Key | HXASCSAZFAJEGQ-YUMQZZPRSA-N |
Inchi ID | InChI=1S/C12H18ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)2-6-7(3-25-27(19,20)21)8(6)4-26-28(22,23)24/h5-8H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t7-,8-/m0/s1 |
PubChem CID | 10994151 |
ChEMBL | CHEMBL274496 |
IUPHAR | N/A |
BindingDB | 50104023 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
126010 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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