Statements (21)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:hasActivity |
IC50
|
| gptkbp:hasActivityValue |
0.0032 uM
|
| gptkbp:hasAssay |
binding
|
| gptkbp:hasBiologicalActivity |
inhibitor
|
| gptkbp:hasInChIKey |
QZKQZQJQZQJQJQ-UHFFFAOYSA-N
|
| gptkbp:hasMolecularFormula |
C17H19N3O3S
|
| gptkbp:hasSMILES |
CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc2ccc(cc2)OC
|
| gptkbp:hasStandardInChI |
InChI=1S/C17H19N3O3S/c1-18-13-10-14(20(21)22)17(12-7-9-16(23-2)11-12)24(19,23)15-8-6-5-4-3-15/h3-11,18H,1-2H3
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL1173655
|
| gptkbp:isDatabaseEntryIn |
gptkb:ChEMBL
|
| gptkbp:molecularWeight |
345.42
|
| gptkbp:organism |
gptkb:Homo_sapiens
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL1173655
|
| gptkbp:structureType |
small molecule
|
| gptkbp:synonym |
N-(4-methoxyphenyl)-4-(methylamino)-3-nitrobenzenesulfonamide
4-(Methylamino)-3-nitro-N-(4-methoxyphenyl)benzenesulfonamide |
| gptkbp:target |
gptkb:human_carbonic_anhydrase_II
|
| gptkbp:bfsParent |
gptkb:afatinib
gptkb:Afatinib |
| gptkbp:bfsLayer |
7
|