Statements (24)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:ATCCode |
none
|
| gptkbp:CASNumber |
153254-86-5
|
| gptkbp:drugClass |
gptkb:norepinephrine_reuptake_inhibitor
|
| gptkbp:hasActivity |
inhibitor
|
| gptkbp:hasBiologicalActivity |
IC50 2.5 nM (norepinephrine transporter)
|
| gptkbp:hasInChIKey |
QKJXYYOQYJYJMH-UHFFFAOYSA-N
|
| gptkbp:hasMolecularFormula |
C17H19NO3
|
| gptkbp:hasSMILES |
COC1=CC=CC=C1OCCC(C2=CC=CC=C2)N(C)C
|
| gptkbp:hasStandardInChI |
InChI=1S/C17H19NO3/c1-18(2)13-12-17(21-16-10-6-5-9-15(16)20-3)14-11-7-4-8-11/h4-10,17H,12-14H2,1-3H3
|
| gptkbp:hasUNII |
6T6UO8361S
|
| gptkbp:IUPACName |
gptkb:(RS)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
|
| gptkbp:molecularWeight |
285.34
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL1201209
4418 |
| gptkbp:routeOfAdministration |
oral
|
| gptkbp:status |
experimental
|
| gptkbp:synonym |
gptkb:Nisoxetine
gptkb:LY94939 |
| gptkbp:target |
gptkb:norepinephrine_transporter
|
| gptkbp:bfsParent |
gptkb:lisdexamfetamine
gptkb:Glucagon |
| gptkbp:bfsLayer |
8
|
| http://www.w3.org/2000/01/rdf-schema#label |
CHEMBL1201209
|