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Name | CHEMBL490250 |
---|---|
Molecular formula | C17H22ClN5O4 |
IUPAC name | (2R,3R,4S,5R)-2-[6-(2-bicyclo[2.2.1]heptanylamino)-2-chloropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 395.844 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 2.3 |
Synonyms | BDBM50267578 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofuranosyl)adenine |
Inchi Key | AEOCPQUDPJKEQV-NNBIHLJJSA-N |
Inchi ID | InChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1 |
PubChem CID | 44582726 |
ChEMBL | CHEMBL490250 |
IUPHAR | N/A |
BindingDB | 50267578 |
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 |
---|---|---|---|---|---|
3674 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
3673 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
3676 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
3675 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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