Statements (24)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:hasAssay |
binding
|
| gptkbp:hasBiologicalActivity |
inhibitor
|
| gptkbp:hasHBA |
6
|
| gptkbp:hasHBD |
2
|
| gptkbp:hasInChIKey |
QZKQJQJQJQJQJQ-UHFFFAOYSA-N
|
| gptkbp:hasLogP |
2.6
|
| gptkbp:hasMolecularFormula |
C17H19N3O3S
|
| gptkbp:hasPSA |
109.2
|
| gptkbp:hasRotatableBonds |
6
|
| gptkbp:hasSMILES |
COc1ccc(NC2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])S(=O)(=O)N)cc1
|
| gptkbp:hasStandardInChI |
InChI=1S/C17H19N3O3S/c1-18-13-8-9-15(20(22)23)17(10-13)24(21,25)19-16-6-4-3-5-14(16)12-22-2/h3-10,18-19H,12H2,1-2H3
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL277500
|
| gptkbp:isDatabaseEntryIn |
gptkb:ChEMBL
|
| gptkbp:molecularWeight |
345.42
|
| gptkbp:organism |
gptkb:Homo_sapiens
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL277500
|
| gptkbp:synonym |
gptkb:CHEMBL277500
N-(4-methoxyphenyl)-4-(methylamino)-3-nitrobenzenesulfonamide |
| gptkbp:target |
gptkb:dopamine_transporter
gptkb:norepinephrine_transporter gptkb:serotonin_transporter |
| gptkbp:bfsParent |
gptkb:Benzene
|
| gptkbp:bfsLayer |
6
|