Statements (25)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:CASNumber |
153254-86-1
|
| gptkbp:drugClass |
norepinephrine reuptake inhibitor
|
| gptkbp:hasHBA |
4
|
| gptkbp:hasHBD |
1
|
| gptkbp:hasInChIKey |
QKQKJHCCQWDRDF-UHFFFAOYSA-N
|
| gptkbp:hasLogP |
3.7
|
| gptkbp:hasMolecularFormula |
C17H19NO3
|
| gptkbp:hasPSA |
41.49
|
| gptkbp:hasRotatableBonds |
6
|
| gptkbp:hasSMILES |
COC1=CC=CC=C1OCC(CN(C)C)C2=CC=CC=C2
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL108693
|
| gptkbp:isApprovedDrug |
no
yes |
| gptkbp:isChirality |
racemic mixture
|
| gptkbp:isWithdrawnDrug |
no
|
| gptkbp:IUPACName |
gptkb:(RS)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
|
| gptkbp:molecularWeight |
285.34
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL108693
|
| gptkbp:routeOfAdministration |
oral
|
| gptkbp:status |
experimental
|
| gptkbp:synonym |
gptkb:Nisoxetine
|
| gptkbp:target |
gptkb:norepinephrine_transporter
|
| gptkbp:bfsParent |
gptkb:alpha-pinene
|
| gptkbp:bfsLayer |
7
|