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Name | MLS000587743 |
---|---|
Molecular formula | C17H13BrF3N3O5 |
IUPAC name | N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide |
Molecular weight | 476.206 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | AC1NV3I5 MolPort-000-730-487 N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide BDBM83326 N''-[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide [ Show all ] |
Inchi Key | BKBZUYLYUUBWOV-GZIVZEMBSA-N |
Inchi ID | InChI=1S/C17H13BrF3N3O5/c1-29-14-7-12(18)4-10(16(14)26)8-22-23-15(25)5-9-2-3-11(17(19,20)21)6-13(9)24(27)28/h2-4,6-8,26H,5H2,1H3,(H,23,25)/b22-8+ |
PubChem CID | 135521517 |
ChEMBL | CHEMBL2001739 |
IUPHAR | N/A |
BindingDB | 83326 |
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 |
---|---|---|---|---|---|
558067 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
558064 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
558065 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
558066 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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