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Name | CHEMBL243432 |
---|---|
Molecular formula | C21H17BrN6O3 |
IUPAC name | 3-acetamido-4-bromo-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide |
Molecular weight | 481.31 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 2.3 |
Synonyms | 5-(acetylamino)-4-bromo-N-(2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1H-pyrazole-3-carboxamide BDBM50222661 SCHEMBL6045824 |
Inchi Key | ADFADTWVIXXRIA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H17BrN6O3/c1-11(29)23-18-15(22)17(27-28-18)20(30)26-19-21(31)24-14-10-6-5-9-13(14)16(25-19)12-7-3-2-4-8-12/h2-10,19H,1H3,(H,24,31)(H,26,30)(H2,23,27,28,29) |
PubChem CID | 23630514 |
ChEMBL | CHEMBL243432 |
IUPHAR | N/A |
BindingDB | 50222661 |
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 |
---|---|---|---|---|---|
2207 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
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