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Name | CHEMBL314720 |
---|---|
Molecular formula | C22H25ClN4O2 |
IUPAC name | ethyl 1-(2-chloro-2-phenylethyl)-4-piperidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate |
Molecular weight | 412.918 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.1 |
Synonyms | 1-(beta-Chlorophenethyl)-4-piperidino-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester |
Inchi Key | CELOTMPEJNSZJQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H25ClN4O2/c1-2-29-22(28)18-13-24-21-17(20(18)26-11-7-4-8-12-26)14-25-27(21)15-19(23)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,19H,2,4,7-8,11-12,15H2,1H3 |
PubChem CID | 11144109 |
ChEMBL | CHEMBL314720 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
40020 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
40021 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
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