|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:ATCCode
|
none
|
|
gptkbp:CASNumber
|
153254-86-7
|
|
gptkbp:drugClass
|
norepinephrine reuptake inhibitor
|
|
gptkbp:hasBiologicalActivity
|
inhibits norepinephrine reuptake
|
|
gptkbp:hasHBA
|
3
|
|
gptkbp:hasHBD
|
1
|
|
gptkbp:hasInChIKey
|
QKJXYYOQSYFJNP-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
|
41.49
|
|
gptkbp:hasUNII
|
6T6UO8361S
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
CHEMBL14237
|
|
gptkbp:IUPACName
|
gptkb:(RS)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
|
|
gptkbp:molecularWeight
|
285.34
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL14237
4418
CHEBI:7592
|
|
gptkbp:routeOfAdministration
|
oral
|
|
gptkbp:status
|
investigational
|
|
gptkbp:structureType
|
small molecule
|
|
gptkbp:synonym
|
gptkb:Nisoxetine
|
|
gptkbp:target
|
gptkb:norepinephrine_transporter
|
|
gptkbp:therapeuticArea
|
gptkb:depression
gptkb:attention_deficit_hyperactivity_disorder
|
|
gptkbp:bfsParent
|
gptkb:Safrole
|
|
gptkbp:bfsLayer
|
6
|