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Name | CHEMBL224097 |
---|---|
Molecular formula | C25H24ClFN4O2 |
IUPAC name | ethyl 1-(2-chloro-2-phenylethyl)-4-[2-(3-fluorophenyl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylate |
Molecular weight | 466.941 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.7 |
Synonyms | BDBM50176828 ethyl 4-(3-fluorophenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate |
Inchi Key | ANTKSEOWKXCTTM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-12-11-17-7-6-10-19(27)13-17)15-30-31(24)16-22(26)18-8-4-3-5-9-18/h3-10,13-15,22H,2,11-12,16H2,1H3,(H,28,29) |
PubChem CID | 11619688 |
ChEMBL | CHEMBL224097 |
IUPHAR | N/A |
BindingDB | 50176828 |
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 |
---|---|---|---|---|---|
9891 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
9892 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
9890 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
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