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Name | CHEMBL144799 |
---|---|
Molecular formula | C22H27ClN4O3 |
IUPAC name | ethyl 4-(butylamino)-1-(2-chloro-3-phenoxypropyl)pyrazolo[3,4-b]pyridine-5-carboxylate |
Molecular weight | 430.933 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50120448 4-Butylamino-1-(2-chloro-3-phenoxy-propyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester |
Inchi Key | BVNPWCKOPYUPOU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H27ClN4O3/c1-3-5-11-24-20-18-13-26-27(21(18)25-12-19(20)22(28)29-4-2)14-16(23)15-30-17-9-7-6-8-10-17/h6-10,12-13,16H,3-5,11,14-15H2,1-2H3,(H,24,25) |
PubChem CID | 10862925 |
ChEMBL | CHEMBL144799 |
IUPHAR | N/A |
BindingDB | 50120448 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
33898 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
33899 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
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