Statements (25)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:ATCCode |
none
|
| gptkbp:CASNumber |
153254-86-1
|
| gptkbp:drugClass |
antidepressant
|
| gptkbp:hasHBA |
3
|
| gptkbp:hasHBD |
1
|
| gptkbp:hasInChIKey |
QKJXYYOQSYFQHF-UHFFFAOYSA-N
|
| gptkbp:hasLogP |
3.7
|
| gptkbp:hasMolecularFormula |
C17H19NO3
|
| gptkbp:hasRotatableBonds |
6
|
| gptkbp:hasSMILES |
COC1=CC=CC=C1OCC(CN(C)C)C2=CC=CC=C2
|
| gptkbp:hasTPSA |
41.38
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL122931
|
| gptkbp:isApprovedDrug |
true
|
| gptkbp:IUPACName |
gptkb:(RS)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
|
| gptkbp:mechanismOfAction |
norepinephrine reuptake inhibitor
|
| gptkbp:molecularWeight |
285.34
|
| gptkbp:PubChem_CID |
4413
CHEBI:75960 |
| gptkbp:routeOfAdministration |
oral
|
| gptkbp:status |
not approved for clinical use
|
| gptkbp:synonym |
gptkb:Nisoxetine
|
| gptkbp:target |
gptkb:norepinephrine_transporter
|
| gptkbp:bfsParent |
gptkb:151096-09-2
|
| gptkbp:bfsLayer |
6
|