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Name | CHEMBL224179 |
---|---|
Molecular formula | C25H25ClN4O2 |
IUPAC name | propyl 4-(benzylamino)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate |
Molecular weight | 448.951 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.7 |
Synonyms | BDBM50176854 propyl 4-(benzylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate |
Inchi Key | BNMWLSCYWFHYNL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H25ClN4O2/c1-2-13-32-25(31)21-15-28-24-20(23(21)27-14-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28) |
PubChem CID | 11633747 |
ChEMBL | CHEMBL224179 |
IUPHAR | N/A |
BindingDB | 50176854 |
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 |
---|---|---|---|---|---|
28260 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
28261 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
442780 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
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