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Name | CHEMBL1094760 |
---|---|
Molecular formula | C10H14ClN5O9P2 |
IUPAC name | [(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate |
Molecular weight | 445.646 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 5 |
XlogP | -2.0 |
Synonyms | BDBM50318028 CHEMBL1199057 2-Chloro-2'-deoxyadenosine 3',5'-bisphosphoric acid diammonium (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-[(hydrogen phosphonatooxy)methyl]oxolan-3-yl hydrogen phosphate |
Inchi Key | FCTUCHUTNSXNIZ-KVQBGUIXSA-N |
Inchi ID | InChI=1S/C10H14ClN5O9P2/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)/t4-,5+,6+/m0/s1 |
PubChem CID | 10671020 |
ChEMBL | CHEMBL1199057 |
IUPHAR | N/A |
BindingDB | 50318028 |
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 |
---|---|---|---|---|---|
75225 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
75224 | Uracil nucleotide/cysteinyl leukotriene receptor | Q13304 | GPR17 | Homo sapiens (Human) | 367 |
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