(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide profile

ID Source	ID
PubMed CID	16197148
CHEMBL ID	1417413
CHEBI ID	107303

Synonym
MLS000834574
smr000442130
CHEBI:107303
BRD-K58499307-001-01-8
HMS2217N06
CHEMBL1417413
(2r,4r)-n-(1h-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2h-pyran-6-carboxamide
Q27185525

Class	Description
(trifluoromethyl)benzenes	An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (19)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	12.5893	0.0032	45.4673	12,589.2998	AID2517
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	17.7828	0.1778	14.3909	39.8107	AID2147
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	2.5119	5.6234	17.2929	31.6228	AID485281
glp-1 receptor, partial	Homo sapiens (human)	Potency	11.2202	0.0184	6.8060	14.1254	AID624417
ATAD5 protein, partial	Homo sapiens (human)	Potency	12.9900	0.0041	10.8903	31.5287	AID504467
TDP1 protein	Homo sapiens (human)	Potency	22.7265	0.0008	11.3822	44.6684	AID686978; AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	0.5623	0.1800	13.5574	39.8107	AID1468
Smad3	Homo sapiens (human)	Potency	11.2202	0.0052	7.8098	29.0929	AID588855
apical membrane antigen 1, AMA1	Plasmodium falciparum 3D7	Potency	28.1838	0.7079	12.1943	39.8107	AID720542
67.9K protein	Vaccinia virus	Potency	19.9526	0.0001	8.4406	100.0000	AID720580
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	0.7079	0.7079	36.9043	89.1251	AID504333
parathyroid hormone/parathyroid hormone-related peptide receptor precursor	Homo sapiens (human)	Potency	125.8920	3.5481	19.5427	44.6684	AID743266
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	28.1838	0.4256	12.0591	28.1838	AID504891
urokinase-type plasminogen activator precursor	Mus musculus (house mouse)	Potency	12.5893	0.1585	5.2879	12.5893	AID540303
plasminogen precursor	Mus musculus (house mouse)	Potency	12.5893	0.1585	5.2879	12.5893	AID540303
urokinase plasminogen activator surface receptor precursor	Mus musculus (house mouse)	Potency	12.5893	0.1585	5.2879	12.5893	AID540303
lethal(3)malignant brain tumor-like protein 1 isoform I	Homo sapiens (human)	Potency	3.1623	0.0752	15.2253	39.8107	AID485360
geminin	Homo sapiens (human)	Potency	0.0046	0.0046	11.3741	33.4983	AID624297
neuropeptide S receptor isoform A	Homo sapiens (human)	Potency	10.0000	0.0158	12.3113	615.5000	AID1461
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay ID	Title	Year	Journal	Article
AID504800	Fluorescence polarization-based biochemical high throughput confirmation assay for activators of the Protein Kinase A-R1A (PKA-R1A) complex	2006	Analytical chemistry, Dec-15, Volume: 78, Issue:24	Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504799	Counterscreen for activators of the Protein Kinase A-R1A (PKA-R1A) complex: fluorescence polarization-based biochemical high throughput screening assay to identify fluorescence polarization assay artifacts	2006	Analytical chemistry, Dec-15, Volume: 78, Issue:24	Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	2 (33.33)	29.6817
2010's	3 (50.00)	24.3611
2020's	1 (16.67)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
cyclobutane-1,1-dicarboxylic acid [no description available]	2.03	1	cyclobutanedicarboxylic acid
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	2.03	1	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
quinethazone quinethazone: RN given for cpd without isomeric designation. quinethazone : A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 6 and 7 by ethyl, sulfamoyl and chloro groups respectively; a thiazide-like diuretic used to treat hypertension.	2.03	1	quinazolines	antihypertensive agent; diuretic
n,n,n',n'-tetramethyl-4,4'-methylenedianiline N,N,N',N'-tetramethyl-4,4'-methylenedianiline: structure given in first source	2.03	1	diarylmethane
sulfan blue sulfan blue: widely used to visualize lymph vessels for lymphography; structure	2.03	1	organic molecular entity
2-thymotic acid 2-thymotic acid: RN given refers to parent cpd; structure	2.03	1	monoterpenoid
buspirone hydrochloride buspirone hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of buspirone and hydrogen chloride.	2.03	1	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
e-250 [no description available]	2.03	1
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol: structure in first source	2.03	1	piperidines
ici 204448 [no description available]	2.03	1
tosifen [no description available]	2.03	1
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide [no description available]	2.03	1	aromatic ether
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide [no description available]	2.03	1	aromatic amide; furans
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester [no description available]	2.03	1	isopropyl ester; triazoles
5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole [no description available]	2.03	1	oxadiazole; ring assembly
pseudoginsenoside f11 [no description available]	2.03	1
8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione [no description available]	2.03	1	benzenes
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester [no description available]	2.03	1	piperazines
2-[[2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol [no description available]	2.03	1	aminopyrimidine
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide [no description available]	2.03	1	pyrazoles; ring assembly
2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione [no description available]	2.03	1	phthalimides
5-(2-oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile [no description available]	2.03	1	oxazole
2-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide [no description available]	2.03	1	amino acid amide
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.03	1	oxopurine
3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester [no description available]	2.03	1	quinazolines
4-ethylbenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester [no description available]	2.03	1	benzoate ester
N-(3,4-dimethylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide [no description available]	2.03	1	organonitrogen compound; organooxygen compound
nalbuphine hydrochloride [no description available]	2.03	1	hydrochloride
2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide [no description available]	2.03	1	pyridopyrimidine
2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol [no description available]	2.03	1	methoxybenzenes; substituted aniline
bucladesine Bucladesine: A cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed). bucladesine : A 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP.	2.03	1	3',5'-cyclic purine nucleotide
cyclic amp, monosodium salt [no description available]	2.03	1
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide [no description available]	2.03	1	acetamides; anilide
3-(2,5-dimethoxyphenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine [no description available]	2.03	1	triazoles
8-bromocyclic gmp, sodium salt sodium 8-bromo-3',5'-cyclic GMP : An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.	2.03	1	organic sodium salt	muscle relaxant; protein kinase G agonist

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
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.	0	2.05	1	0

(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

Cross-References

Synonyms (8)

Drug Classes (1)

Protein Targets (19)

Potency Measurements

Bioassays (15)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.41

Study Types

(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

Cross-References

Synonyms (8)

Drug Classes (1)

Protein Targets (19)

Potency Measurements

Bioassays (15)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.41

Study Types

Related Drugs (35)

Related Conditions (2)