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Name | 2-Chloro-N6-cyclopentyladenosine |
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Molecular formula | C15H20ClN5O4 |
IUPAC name | (2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 369.806 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 1.8 |
Synonyms | [3H]CCPA (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol 4824AB B6839 KB-23064 [ Show all ] |
Inchi Key | XSMYYYQVWPZWIZ-IDTAVKCVSA-N |
Inchi ID | InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 |
PubChem CID | 123807 |
ChEMBL | CHEMBL284969 |
IUPHAR | 379, 374 |
BindingDB | 50085658 |
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 |
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399813 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
399816 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
399818 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
399819 | Adenosine receptor A1 | Q60612 | Adora1 | Mus musculus (Mouse) | 326 |
399820 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
399815 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
399817 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
399821 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
399814 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
399822 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
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