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Name | CHEMBL315101 |
---|---|
Molecular formula | C13H17N5 |
IUPAC name | 2-oct-1-ynyl-7H-purin-6-amine |
Molecular weight | 243.314 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | 2-(1-Octynyl)adenine BDBM50008245 SCHEMBL15253136 2-Oct-1-ynyl-9H-purin-6-ylamine ZINC12405287 |
Inchi Key | ABCGZUNPGHUFFH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H17N5/c1-2-3-4-5-6-7-8-10-17-12(14)11-13(18-10)16-9-15-11/h9H,2-6H2,1H3,(H3,14,15,16,17,18) |
PubChem CID | 15119230 |
ChEMBL | CHEMBL315101 |
IUPHAR | N/A |
BindingDB | 50008245 |
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 |
---|---|---|---|---|---|
735 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
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