Compounds > l 742694
Page last updated: 2024-10-15

l 742694

Description

L 742694: a neurokinin-1 receptor antagonist; structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID135449286
CHEMBL ID52330
SCHEMBL ID7115751
MeSH IDM0260910

Synonyms (15)

Synonym
BIDD:PXR0026
159706-39-5
5-(((2s,3s)-2-(3,5-bis(trifluoromethyl)benzyloxy)-3-phenylmorpholino)methyl)-2h-1,2,4-triazol-3(4h)-one
5-[(2s,3s)-2-(3,5-bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
bdbm50049469
l 742694
l 742,694
2-((3,5-bis(trifluoromethyl)benzyl)oxy)-3-phenyl-4-((3-oxo-1,2,4-triazol-5-yl)methyl)morpholine
l-742694
l742694
CHEMBL52330 ,
SCHEMBL7115751
DTXSID00415514
l -42,694
oykixmqklmujek-rbukoaknsa-n
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (3)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Substance-K receptorHomo sapiens (human)IC50 (µMol)0.00700.00013.12109.5530AID211704
Substance-P receptorHomo sapiens (human)IC50 (µMol)0.00010.00000.09526.8130AID208406; AID208420; AID271466; AID342286
Neuromedin-K receptorHomo sapiens (human)IC50 (µMol)0.15000.00100.28822.9900AID212231
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (49)

Processvia Protein(s)Taxonomy
muscle contractionSubstance-K receptorHomo sapiens (human)
tachykinin receptor signaling pathwaySubstance-K receptorHomo sapiens (human)
positive regulation of acetylcholine secretion, neurotransmissionSubstance-K receptorHomo sapiens (human)
intestine smooth muscle contractionSubstance-K receptorHomo sapiens (human)
negative regulation of luteinizing hormone secretionSubstance-K receptorHomo sapiens (human)
operant conditioningSubstance-K receptorHomo sapiens (human)
positive regulation of vascular permeabilitySubstance-K receptorHomo sapiens (human)
positive regulation of monoatomic ion transportSubstance-K receptorHomo sapiens (human)
positive regulation of smooth muscle contractionSubstance-K receptorHomo sapiens (human)
response to electrical stimulusSubstance-K receptorHomo sapiens (human)
prolactin secretionSubstance-K receptorHomo sapiens (human)
positive regulation of uterine smooth muscle contractionSubstance-K receptorHomo sapiens (human)
positive regulation of flagellated sperm motilitySubstance-K receptorHomo sapiens (human)
aggressive behaviorSubstance-P receptorHomo sapiens (human)
positive regulation of leukocyte migrationSubstance-P receptorHomo sapiens (human)
angiotensin-mediated drinking behaviorSubstance-P receptorHomo sapiens (human)
inflammatory responseSubstance-P receptorHomo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathwaySubstance-P receptorHomo sapiens (human)
positive regulation of cytosolic calcium ion concentrationSubstance-P receptorHomo sapiens (human)
tachykinin receptor signaling pathwaySubstance-P receptorHomo sapiens (human)
long-term memorySubstance-P receptorHomo sapiens (human)
associative learningSubstance-P receptorHomo sapiens (human)
detection of abiotic stimulusSubstance-P receptorHomo sapiens (human)
response to ozoneSubstance-P receptorHomo sapiens (human)
positive regulation of epithelial cell migrationSubstance-P receptorHomo sapiens (human)
response to auditory stimulusSubstance-P receptorHomo sapiens (human)
regulation of smooth muscle cell migrationSubstance-P receptorHomo sapiens (human)
positive regulation of synaptic transmission, cholinergicSubstance-P receptorHomo sapiens (human)
positive regulation of synaptic transmission, GABAergicSubstance-P receptorHomo sapiens (human)
response to estradiolSubstance-P receptorHomo sapiens (human)
response to progesteroneSubstance-P receptorHomo sapiens (human)
response to nicotineSubstance-P receptorHomo sapiens (human)
operant conditioningSubstance-P receptorHomo sapiens (human)
sperm ejaculationSubstance-P receptorHomo sapiens (human)
eating behaviorSubstance-P receptorHomo sapiens (human)
positive regulation of vascular permeabilitySubstance-P receptorHomo sapiens (human)
response to ethanolSubstance-P receptorHomo sapiens (human)
positive regulation of action potentialSubstance-P receptorHomo sapiens (human)
positive regulation of blood pressureSubstance-P receptorHomo sapiens (human)
positive regulation of ossificationSubstance-P receptorHomo sapiens (human)
positive regulation of vasoconstrictionSubstance-P receptorHomo sapiens (human)
positive regulation of hormone secretionSubstance-P receptorHomo sapiens (human)
behavioral response to painSubstance-P receptorHomo sapiens (human)
regulation of smooth muscle cell proliferationSubstance-P receptorHomo sapiens (human)
positive regulation of lymphocyte proliferationSubstance-P receptorHomo sapiens (human)
positive regulation of epithelial cell proliferationSubstance-P receptorHomo sapiens (human)
positive regulation of stress fiber assemblySubstance-P receptorHomo sapiens (human)
response to electrical stimulusSubstance-P receptorHomo sapiens (human)
smooth muscle contraction involved in micturitionSubstance-P receptorHomo sapiens (human)
positive regulation of uterine smooth muscle contractionSubstance-P receptorHomo sapiens (human)
positive regulation of flagellated sperm motilitySubstance-P receptorHomo sapiens (human)
tachykinin receptor signaling pathwayNeuromedin-K receptorHomo sapiens (human)
positive regulation of heart rateNeuromedin-K receptorHomo sapiens (human)
response to estradiolNeuromedin-K receptorHomo sapiens (human)
regulation of dopamine metabolic processNeuromedin-K receptorHomo sapiens (human)
response to cocaineNeuromedin-K receptorHomo sapiens (human)
positive regulation of blood pressureNeuromedin-K receptorHomo sapiens (human)
regulation of feeding behaviorNeuromedin-K receptorHomo sapiens (human)
positive regulation of uterine smooth muscle contractionNeuromedin-K receptorHomo sapiens (human)
positive regulation of flagellated sperm motilityNeuromedin-K receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (4)

Processvia Protein(s)Taxonomy
tachykinin receptor activitySubstance-K receptorHomo sapiens (human)
protein bindingSubstance-K receptorHomo sapiens (human)
substance K receptor activitySubstance-K receptorHomo sapiens (human)
tachykinin receptor activitySubstance-P receptorHomo sapiens (human)
protein bindingSubstance-P receptorHomo sapiens (human)
substance P receptor activitySubstance-P receptorHomo sapiens (human)
protein bindingNeuromedin-K receptorHomo sapiens (human)
tachykinin receptor activityNeuromedin-K receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
plasma membraneSubstance-K receptorHomo sapiens (human)
sperm flagellumSubstance-K receptorHomo sapiens (human)
sperm headSubstance-K receptorHomo sapiens (human)
sperm midpieceSubstance-K receptorHomo sapiens (human)
sperm midpieceSubstance-K receptorHomo sapiens (human)
plasma membraneSubstance-K receptorHomo sapiens (human)
plasma membraneSubstance-P receptorHomo sapiens (human)
cell surfaceSubstance-P receptorHomo sapiens (human)
dendriteSubstance-P receptorHomo sapiens (human)
sperm flagellumSubstance-P receptorHomo sapiens (human)
cell bodySubstance-P receptorHomo sapiens (human)
sperm headSubstance-P receptorHomo sapiens (human)
sperm midpieceSubstance-P receptorHomo sapiens (human)
plasma membraneSubstance-P receptorHomo sapiens (human)
sperm midpieceSubstance-P receptorHomo sapiens (human)
plasma membraneNeuromedin-K receptorHomo sapiens (human)
dendrite membraneNeuromedin-K receptorHomo sapiens (human)
neuronal cell body membraneNeuromedin-K receptorHomo sapiens (human)
sperm midpieceNeuromedin-K receptorHomo sapiens (human)
plasma membraneNeuromedin-K receptorHomo sapiens (human)
sperm midpieceNeuromedin-K receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (18)

Assay IDTitleYearJournalArticle
AID211704Displacement of [125I]-labeled SP from the human Tachykinin receptor 2 expressed in CHO cells1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
2(S)-((3,5-bis(trifluoromethyl)benzyl)-oxy)-3(S)-phenyl-4- ((3-oxo-1,2,4-triazol-5-yl)methyl)morpholine (1): a potent, orally active, morpholine-based human neurokinin-1 receptor antagonist.
AID342286Inhibition of NK1 receptor2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
The many roles for fluorine in medicinal chemistry.
AID271466Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells2006Bioorganic & medicinal chemistry letters, Sep-01, Volume: 16, Issue:17
Cyclopentane-based human NK1 antagonists. Part 1: discovery and initial SAR.
AID342288Inhibition of GR-73632-induced foot-tapping in iv dosed gerbils after 24 hrs2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
The many roles for fluorine in medicinal chemistry.
AID75262Inhibition of GR 73632-induced foot tapping in gerbils upon intravenous administration of compound after 4 hr; Not determined1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID212231Displacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cells1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
2(S)-((3,5-bis(trifluoromethyl)benzyl)-oxy)-3(S)-phenyl-4- ((3-oxo-1,2,4-triazol-5-yl)methyl)morpholine (1): a potent, orally active, morpholine-based human neurokinin-1 receptor antagonist.
AID75082Inhibition of GR 73632-induced foot tapping in gerbils upon intravenous administration of compound1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID75083Inhibition of GR 73632-induced foot tapping in gerbils upon intravenous administration of compound after 24 hr1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID77003SP-induced dermal inflammation assay in guinea pig after peroral administration followed by SP challenge id after 1 hr1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
2(S)-((3,5-bis(trifluoromethyl)benzyl)-oxy)-3(S)-phenyl-4- ((3-oxo-1,2,4-triazol-5-yl)methyl)morpholine (1): a potent, orally active, morpholine-based human neurokinin-1 receptor antagonist.
AID208420Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
2(S)-((3,5-bis(trifluoromethyl)benzyl)-oxy)-3(S)-phenyl-4- ((3-oxo-1,2,4-triazol-5-yl)methyl)morpholine (1): a potent, orally active, morpholine-based human neurokinin-1 receptor antagonist.
AID76983Inhibition of resiniferatoxin-induced systemic vascular leakage in guinea pig (SYVAL) upon oral administration at 1 hr1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID342287Inhibition of resiniferatoxin-induced systemic vascular leakage in po dosed guinea pig emesis model after 24 hrs2008Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15
The many roles for fluorine in medicinal chemistry.
AID271468Dissociation constant, pKa of the compound2006Bioorganic & medicinal chemistry letters, Sep-01, Volume: 16, Issue:17
Cyclopentane-based human NK1 antagonists. Part 1: discovery and initial SAR.
AID25856Physicochemical property was determined1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
2(S)-((3,5-bis(trifluoromethyl)benzyl)-oxy)-3(S)-phenyl-4- ((3-oxo-1,2,4-triazol-5-yl)methyl)morpholine (1): a potent, orally active, morpholine-based human neurokinin-1 receptor antagonist.
AID271473Solubility in potassium hydrogen phosphate buffer at pH 52006Bioorganic & medicinal chemistry letters, Sep-01, Volume: 16, Issue:17
Cyclopentane-based human NK1 antagonists. Part 1: discovery and initial SAR.
AID208406Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID77134Inhibition of resiniferatoxin-induced systemic vascular leakage in guinea pig (SYVAL) upon oral administration at 24 hr r1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID95576Inhibition of [3H]diltiazem binding to L-type [Ca2+] channel in rabbit skeletal muscle1996Journal of medicinal chemistry, Apr-26, Volume: 39, Issue:9
2(S)-((3,5-bis(trifluoromethyl)benzyl)-oxy)-3(S)-phenyl-4- ((3-oxo-1,2,4-triazol-5-yl)methyl)morpholine (1): a potent, orally active, morpholine-based human neurokinin-1 receptor antagonist.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (12)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's5 (41.67)18.2507
2000's7 (58.33)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other12 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
acetic acid
Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.		2.0410monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.		2.0410benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
phenol
[no description available]		2.0410phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
propionic acid
propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.		2.0410saturated fatty acid;
short-chain fatty acid		antifungal drug
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.		2.0410azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
celecoxib
[no description available]		2.0410organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluoroacetic acid
fluoroacetic acid: N1 same as NM; RN given refers to parent cpd. fluoroacetic acid : A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.		2.0410haloacetic acid;
organofluorine compound		EC 4.2.1.3 (aconitate hydratase) inhibitor
aniline
[no description available]		2.0410anilines;
primary arylamine
ethylamine
ethylamine : A two-carbon primary aliphatic amine.		2.0410primary aliphatic aminehuman metabolite
trifluoroethanol
Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications.		2.0410fluoroalcohol
trifluoroacetic acid
Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid.		2.0410fluoroalkanoic acidhuman xenobiotic metabolite;
NMR chemical shift reference compound;
reagent
quinoline
[no description available]		2.0410azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
3-aminobenzotrifluoride
[no description available]		2.0410
3-trifluoromethylphenol
3-trifluoromethylphenol: structure in first source		2.0410(trifluoromethyl)benzenes
propylamine
propylamine : A member of the class of alkylamines that is propane substituted by an amino group at C-1.		2.0410alkylamines
n-butylamine
n-butylamine: RN given refers to parent cpd. butan-1-amine : A primary aliphatic amine that is butane substituted by an amino group at position 1.		2.0410primary aliphatic amine
piperidine
[no description available]		2.0410azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
2-fluoroaniline
2-fluoroaniline: structure given in first source; RN given refers to parent compound. 2-fluoroaniline : A derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate		2.0410fluoroaniline;
primary arylamine
2-fluorophenol
fluorophenol : A halophenol that is any phenol containing one or more covalently bonded fluorine atoms.		2.0410
4-fluoroaniline
4-fluoroaniline: chemical intermediate manufactured by the Halex process; RN given refers to parent cpd; structure given in first source. 4-fluoroaniline : A primary arylamine that is the derivative of aniline in which the hydrogen at position 4 has been substituted by fluorine. It is used as an intermediate in the manufacture of pharmaceuticals, herbicides and plant growth regulators.		2.0410fluoroaniline;
primary arylamine
4-fluorophenol
4-fluorophenol: structure given in first source. 4-fluorophenol : A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine.		2.0410fluorophenol;
monofluorobenzenes
3-fluoroaniline
3-fluoroaniline: structure given in first source. 3-fluoroaniline : A derivative of aniline in which the hydrogen at position 3 has been substituted by fluorine. It is used as a pharmaceutical intermediate.		2.0410fluoroaniline;
primary arylamine
3-fluorophenol
3-fluorophenol: structure in first source		2.0410
2-fluoropyridine
[no description available]		2.0410
trifluoroethylamine
trifluoroethylamine: RN given refers to cpd with unspecified fluorine locants		2.0410
difluoroacetic acid
[no description available]		2.0410monocarboxylic acid;
organofluorine compound
2-fluorobenzoic acid
2-fluorobenzoic acid: RN given refers to parent cpd. 2-fluorobenzoic acid : A 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2.. fluorobenzoic acid : Any benzoic acid carrying at least one fluoro substituent on the benzene ring. Fluorobenzoic acids are important intermediates in the synthesis of antibacterial drugs.		2.04102-halobenzoic acid;
fluorobenzoic acid
4-trifluoromethylaniline
4-trifluoromethylaniline : A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.		2.0410(trifluoromethyl)benzenes;
substituted aniline		metabolite
3-fluorobenzoic acid
[no description available]		2.0410fluorobenzoic acid
4-fluorobenzoic acid
[no description available]		2.0410fluorobenzoic acidbacterial xenobiotic metabolite
2-fluoroethylamine
2-fluoroethylamine: structure in first source		2.0410
n,n-dimethylethylamine
[no description available]		2.0410
substance p
[no description available]		2.420peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent
cp 96345
CP 96345: structure given in first source; potent nonpeptide antagonist of the substance P (NK1) receptor; CP 96344 is enantiomer of CP 96345		1.9910
sc 58125
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole: a COX-2 inhibitor		2.0410organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor
l 733060
3-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine: RN given refers to (2S-cis)-isomer; L-733,061 is pharmacologically inactive; structure in first source		2.6930piperidines
l 733560
L 733560: a semisynthetic pneumocandin; structure in first source		2.0110
sitagliptin
sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.		2.0410triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
cp 99994
3-(2-methoxybenzylamino)-2-phenylpiperidine: selective NK(1) receptor antagonist; CP-100263 is the inactive enantiomer		2.6930
vofopitant
[no description available]		1.9910
l 760735
L 760735: an NK1 receptor antagonist		2.0110
(2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine
(2S,3S)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine: structure given in first source		2.730
sc 236
4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide: SC58236 = SC236 re email from Harris, Ray 		2.0410
l-873724
L-873724: a selective inhibitor of cathepsin K; structure in first source		2.0410
n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide
N-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide: MK-0364 is the (1S,2S)-isomer; a cannabinoid-1 receptor inverse agonist; structure in first source		2.0410stilbenoid
piperidines
Piperidines: A family of hexahydropyridines.		2.730
aprepitant
Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.. aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.		3.2760(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
ConditionIndicatedRelationship StrengthStudiesTrials
Innate Inflammatory Response
[description not available]		01.9910
Emesis
[description not available]		01.9910
Inflammation
A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.		01.9910
Vomiting
The forcible expulsion of the contents of the STOMACH through the MOUTH.		01.9910
Adverse Drug Event
[description not available]		02.0310
Drug-Related Side Effects and Adverse Reactions
Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.		02.0310
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		01.9910