Statements (33)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
kappa-opioid receptor antagonist |
| gptkbp:activity |
antagonist
|
| gptkbp:CASNumber |
873436-91-0
|
| gptkbp:clinicalTrialPhase |
terminated before human dosing
|
| gptkbp:criteria |
highly selective for kappa-opioid receptor
|
| gptkbp:developedBy |
antidepressant
antistress agent |
| gptkbp:discoveredBy |
James E. Schmid
Thomas B. R. Graham |
| gptkbp:discoveredIn |
2004
Johnson & Johnson Pharmaceutical Research & Development |
| gptkbp:effect |
anti-addictive effects in animal studies
antidepressant-like effects in animal studies anxiolytic-like effects in animal studies |
| gptkbp:endDate |
concerns about cardiac arrhythmia risk
|
| gptkbp:hasInChIKey |
QJQYQJQYQJQYQJ-UHFFFAOYSA-N
|
| gptkbp:hasMolecularFormula |
C27H32N2O3
|
| gptkbp:hasSMILES |
CC1CCN(CC1C2=CC(=CC=C2)O)C[C@@H](C(=O)N[C@@H]3CCc4cc(O)ccc4C3)C
|
| https://www.w3.org/2000/01/rdf-schema#label |
JDTic
|
| gptkbp:IUPACName |
(3R)-7-hydroxy-N-((1S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)ethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
|
| gptkbp:legalStatus |
experimental
|
| gptkbp:molecularWeight |
432.55 g/mol
|
| gptkbp:PubChem_CID |
11561616
CHEMBL210383 |
| gptkbp:relatedTo |
gptkb:nor-BNI
GNTI LY2456302 |
| gptkbp:routeOfAdministration |
oral
|
| gptkbp:target |
gptkb:kappa-opioid_receptor
|
| gptkbp:UNII |
6Z5B6HVF6O
|
| gptkbp:bfsParent |
gptkb:kappa-opioid_receptor
|
| gptkbp:bfsLayer |
7
|