Compounds > amg 517
Page last updated: 2024-11-12

amg 517

Cross-References

ID SourceID
PubMed CID16007367
CHEMBL ID229430
SCHEMBL ID1042780
MeSH IDM0514341

Synonyms (35)

Synonym
jmc503515 compound 23
amg 517
chembl229430 ,
us8802711, h
bdbm20557
n-[4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
us8796328, a
amg-517
AKOS015994535
HY-10634
CS-0980
S7115
gtpl4129
amg517
SCHEMBL1042780
n-{4-[6-(4-trifluoromethyl-phenyl)-pyrimidin-4-yloxy]-benzothiazol-2-yl}-acetamide
acetamide, n-(4-((6-(4-(trifluoromethyl)phenyl)-4-pyrimidinyl)oxy)-2-benzothiazolyl)-
unii-172v4fbz75
659730-32-2
172v4fbz75 ,
BD-0082 ,
n-(4-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)oxy)benzo[d]thiazol-2-yl)acetamide
n-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
AC-30947
DTXSID90216178
HMS3653C07
n-[4-[[6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-2-benzothiazolyl]acetamide
NCGC00386259-04
SW219382-1
BCP07380
EX-A2915
Q27074438
SB19597
HMS3886D11
CCG-269008

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" In addition, compound 26 was found to be orally bioavailable (rat F(oral)=24%) and had potent TRPV1 antagonist activity (capsaicin IC(50)=1."( Trisubstituted pyrimidines as transient receptor potential vanilloid 1 (TRPV1) antagonists with improved solubility.
Chakrabarti, PP; Gavva, NR; Norman, MH; Ognyanov, VI; Pettus, LH; Tamir, R; Tan, H; Tang, P; Treanor, JJ; Wang, X, 2007)		0.34
" For example, the 1,8-naphthyridine 52 was characterized as an orally bioavailable and brain penetrant TRPV1 antagonist."( Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists.
Bakthavatchalam, R; Blum, CA; Boyce, S; Brielmann, H; Burnaby-Davies, N; Caldwell, T; Capitosti, S; Chenard, BL; Conley, R; Cortright, D; Crandall, M; De Lombaert, S; Hodgetts, KJ; Jones, AB; Kershaw, MT; Krause, JE; Martin, WJ; Mason, G; Matson, D; Murphy, BA; Perrett, H; Rycroft, W; Zheng, X, 2010)		0.36
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)		0.51
"Many lead compounds fail to reach clinical trials despite being potent because of low bioavailability attributed to their insufficient solubility making solubility a primary and crucial factor in early phase drug discovery."( Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
Baidya, ATK; Das, B; Kumar, R; Mathew, AT; Yadav, AK, 2022)		0.72
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
GVesicular stomatitis virusPotency10.68400.01238.964839.8107AID1645842
cytochrome P450 2D6Homo sapiens (human)Potency13.45040.00108.379861.1304AID1645840
Interferon betaHomo sapiens (human)Potency10.68400.00339.158239.8107AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency10.68400.01238.964839.8107AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency10.68400.01238.964839.8107AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency10.68400.01238.964839.8107AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Transient receptor potential cation channel subfamily V member 1Rattus norvegicus (Norway rat)IC50 (µMol)0.00070.00040.21474.0000AID1797981; AID1797982; AID1797987; AID291969; AID291970; AID292009; AID292010; AID310506; AID310507; AID317245; AID344588; AID344589; AID384506; AID384507
Transient receptor potential cation channel subfamily V member 1Homo sapiens (human)IC50 (µMol)0.00080.00020.606010.0000AID1797981; AID1797982; AID1866046; AID291971; AID291972; AID291973; AID317244; AID384502; AID384503; AID476740
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (81)

Processvia Protein(s)Taxonomy
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
positive regulation of T cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
adaptive immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independentHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of T cell anergyHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
defense responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
detection of bacteriumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-12 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-6 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protection from natural killer cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
innate immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of dendritic cell differentiationHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class IbHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
thermoceptionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of transcription by RNA polymerase IITransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
fever generationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
microglial cell activationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
diet induced thermogenesisTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
peptide secretionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of systemic arterial blood pressureTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
lipid metabolic processTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cell surface receptor signaling pathwayTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
positive regulation of cytosolic calcium ion concentrationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
chemosensory behaviorTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of heart rateTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of mitochondrial membrane potentialTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
glutamate secretionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium-mediated signalingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to heatTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
positive regulation of apoptotic processTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
response to peptide hormoneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
positive regulation of nitric oxide biosynthetic processTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
behavioral response to painTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
sensory perception of mechanical stimulusTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
detection of temperature stimulus involved in thermoceptionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
detection of temperature stimulus involved in sensory perception of painTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
detection of chemical stimulus involved in sensory perception of painTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
protein homotetramerizationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
excitatory postsynaptic potentialTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
smooth muscle contraction involved in micturitionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium ion transmembrane transportTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to alkaloidTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to ATPTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to tumor necrosis factorTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to acidic pHTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to temperature stimulusTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of establishment of blood-brain barrierTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium ion import across plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
response to capsazepineTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to nerve growth factor stimulusTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
inositol phosphate metabolic processInositol hexakisphosphate kinase 1Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
negative regulation of cold-induced thermogenesisInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (31)

Processvia Protein(s)Taxonomy
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
signaling receptor bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
peptide antigen bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein-folding chaperone bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
transmembrane signaling receptor activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
extracellular ligand-gated monoatomic ion channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
voltage-gated calcium channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
protein bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calmodulin bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
ATP bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
intracellularly gated calcium channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
chloride channel regulator activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
phosphatidylinositol bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
identical protein bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
metal ion bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
phosphoprotein bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
temperature-gated ion channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol heptakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
protein bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
ATP bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 1-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 3-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (25)

Processvia Protein(s)Taxonomy
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
Golgi membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
endoplasmic reticulumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
Golgi apparatusHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
cell surfaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
ER to Golgi transport vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
secretory granule membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
phagocytic vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
early endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
recycling endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular exosomeHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
lumenal side of endoplasmic reticulum membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
MHC class I protein complexHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular spaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
external side of plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
external side of plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
dendritic spine membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
neuronal cell bodyTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
postsynaptic membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
fibrillar centerInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
cytosolInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleusInositol hexakisphosphate kinase 1Homo sapiens (human)
cytoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (91)

Assay IDTitleYearJournalArticle
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID292018Oral bioavailability in Sprague-Dawley rat at 5 mg/kg2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID310509Aqueous solubility in PBS at pH 72007Bioorganic & medicinal chemistry letters, Dec-01, Volume: 17, Issue:23
Trisubstituted pyrimidines as transient receptor potential vanilloid 1 (TRPV1) antagonists with improved solubility.
AID344596Oral bioavailability in Sprague-Dawley rat at 5 mg/kg2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID291980Volume of distribution at steady state in Sprague-Dawley rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID384505Toxicity assessed as increase in body temperature in Sprague-Dawley rat at 0.1 to 3 mg/kg, po after 60 mins2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.
AID384504Inhibition of capsaicin-induced flinching in po dosed rat2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.
AID292015Half life in Sprague-Dawley rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID291979AUC (0-infinity) in Sprague-Dawley rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291994Half life in dog at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID317249Clearance in iv dosed rat2008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID476740Inhibition of human TRPV12010Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists.
AID291986AUC (0 to infinity) in rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291991AUC (0-infinity) in dog at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID310510Aqueous solubility in fasted-state stimulated intestinal fluid at pH 6.82007Bioorganic & medicinal chemistry letters, Dec-01, Volume: 17, Issue:23
Trisubstituted pyrimidines as transient receptor potential vanilloid 1 (TRPV1) antagonists with improved solubility.
AID384502Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.
AID291975Metabolic stability in rat liver microsomes assessed as clearance2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID344594Elimination half life in Sprague-Dawley rat at 5 mg/kg, po2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID291993Volume of distribution at steady state in dog at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID317245Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium mobilization2008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID384508Ratio of drug level in brain to plasma in Sprague-Dawley rat at 5 mg/kg, iv2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.
AID384507Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced calcium influx2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.
AID1866020Thermodynamic aqueous solubility of the compound2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID344588Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID291988Volume of distribution at steady state at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291970Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID317248Solubility in simulated intestinal fluid at pH 6.82008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID291972Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of acid-induced calcium influx2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291973Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of heat-induced calcium influx2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291977Clearance in Sprague-Dawley rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291990Bioavailability in rat at 1 mg/kg, po2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291998Volume of distribution at steady state in monkey at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291992Clearance in dog at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID344590Solubility in 0.01N HCl2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID317246Solubility in aqueous 0.01 N HCL2008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID291978Half life in Sprague-Dawley rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292000Bioavailability in monkey at 1 mg/kg, po2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID344597AUC (0 to infinity) in Sprague-Dawley rat at 5 mg/kg, po2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID344598Clearance in Sprague-Dawley rat at 5 mg/kg, po2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID291989Half life in rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID291976In vivo clearance in Sprague-Dawley rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292002Inhibition of capsaicin-induced flinching in Sprague-Dawley rat at 3 mg/kg, po upto 24 hrs2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292011Solubility in 0.01N HCl2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID291981Bioavailability in fasted Sprague-Dawley rat at 3 mg/kg, po2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID317250Half life in iv dosed rat2008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID291974Metabolic stability in human liver microsomes assessed as clearance2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292016AUC (0 to infinity) in Sprague-Dawley rat at 3 mg/kg, po up to 8 hrs2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID384506Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.
AID317244Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium mobilization2008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID291995Bioavailability in dog at 1 mg/kg, po2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID344595Volume of distribution at steady state in Sprague-Dawley rat at 5 mg/kg, po2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID344592Solubility in simulated intestinal fluid2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID310507Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx2007Bioorganic & medicinal chemistry letters, Dec-01, Volume: 17, Issue:23
Trisubstituted pyrimidines as transient receptor potential vanilloid 1 (TRPV1) antagonists with improved solubility.
AID310506Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx2007Bioorganic & medicinal chemistry letters, Dec-01, Volume: 17, Issue:23
Trisubstituted pyrimidines as transient receptor potential vanilloid 1 (TRPV1) antagonists with improved solubility.
AID292001Efficacy in capsaicin-induced flinching in po dosed Sprague-Dawley rat2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292012Clearance in Sprague-Dawley rat at 1 mg/kg, iv up to 6 hrs2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID291983Aqueous solubility in hydrochloric acid by high-throughput automated format2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID317251Bioavailability in rat at 3 mg/kg, po2008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID344600Agonist activity at rat TRPV1 expressed in CHO cells assessed as effect on pH 5 acid-induced 45Ca2+ influx by FLIPR assay2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID344589Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced 45Ca2+ influx by FLIPR assay2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID291996AUC (0-infinity) in monkey at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292003Inhibition of CFA-induced paw thermal hyperalgesia in po dosed Sprague-Dawley rat2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292020Solubility in SIF2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID292010Inhibition of rat TRPV1 expressed in CHO cells assessed as acid-induced Ca2+ influx2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID291985Solubility in simulated intestinal fluid by high-throughput automated format2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID344591Solubility in phosphate buffered saline at pH 72008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID292004Inhibition of CFA-induced paw thermal hyperalgesia in Sprague-Dawley rat at 10 mg/kg, po relative to control2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID317253AUC in rat at 3 mg/kg, po2008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID291969Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292014Volume of distribution in Sprague-Dawley rat at 1 mg/kg, iv up to 6 hrs2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID292013AUC (0 to infinity) in Sprague-Dawley rat at 1 mg/kg, iv up to 6 hrs2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID344599Agonist activity at rat TRPV1 expressed in CHO cells assessed as effect on capsaicin-induced 45Ca2+ influx by FLIPR assay2008Bioorganic & medicinal chemistry letters, Sep-15, Volume: 18, Issue:18
Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.
AID292009Inhibition of rat TRPV1 expressed in CHO cells assessed as capsaicin-induced Ca2+ influx2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID291999Half life in monkey at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID1866046Antagonist activity at TRPV1 (unknown origin)2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID291997Clearance in monkey at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID292019Solubility in PBS2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID291984Solubility in PBS by high-throughput automated format2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID310508Aqueous solubility in 0.01N HCl2007Bioorganic & medicinal chemistry letters, Dec-01, Volume: 17, Issue:23
Trisubstituted pyrimidines as transient receptor potential vanilloid 1 (TRPV1) antagonists with improved solubility.
AID384503Antagonist activity at human TRPV1 assessed as inhibition of low pH-induced calcium influx2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.
AID291971Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID317247Solubility in phosphate buffered saline at pH 7.42008Bioorganic & medicinal chemistry letters, Mar-15, Volume: 18, Issue:6
4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.
AID291987Clearance in rat at 1 mg/kg, iv2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID1797982Proton Antagonist Assay from Article 10.1021/jm070190p: \\Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.\\2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID1797987Capsaicin Antagonist Assay from Article 10.1021/jm070191h: \\Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.\\2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
AID1797981Capsaicin Antagonist Assay from Article 10.1021/jm070190p: \\Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.\\2007Journal of medicinal chemistry, Jul-26, Volume: 50, Issue:15
Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.
AID1346617Human TRPV1 (Transient Receptor Potential channels)2010Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8
Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (11)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's6 (54.55)29.6817
2010's2 (18.18)24.3611
2020's3 (27.27)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 32.25

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index32.25 (24.57)
Research Supply Index2.48 (2.92)
Research Growth Index4.48 (4.65)
Search Engine Demand Index25.55 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (32.25)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (9.09%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other10 (90.91%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
phenytoin
[no description available]		3.5110imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.		3.5110extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
beta-lapachone
beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.		3.5110benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.		3.5110aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
thalidomide
Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.		3.5110phthalimides;
piperidones
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline: structure given in first source		3.5110
naproxen
Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.		2.0510methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
etravirine
[no description available]		3.5110aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
linezolid
[no description available]		3.5110acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
antofine
antofine: structure in first source. (-)-antofine : An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities.		3.5110alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
ac 55649
4'-octyl-4-biphenylcarboxylic acid: an RAR beta2 agonist; structure in first source		3.5110biphenyls;
carboxybiphenyl
diosmin
[no description available]		3.5110dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
oridonin
[no description available]		3.5110cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
rilpivirine
[no description available]		3.5110aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
a 286982
A 286982: inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source		3.5110
sb 705498
SB 705498: structure in first source		2.0510
SIS3 free base
SIS3 free base : An enamide resulting from the formal condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid.		3.5110aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor
bms-585248
[no description available]		3.5110
tedizolid
DA 7157: an anti-infective agent; structure in first source. tedizolid : A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles		antimicrobial agent;
drug metabolite;
protein synthesis inhibitor
abt 102
ABT 102: a TRPV1 antagonist; structure in first source		2.0510
bms-626529
[no description available]		3.5110
bms-663068
fostemsavir: an HIV-1 attachment inhibitor; structure in first source		3.5110
tedizolid phosphate
tedizolid phosphate: a prodrug of DA-7157; structure in first source. tedizolid phosphate : A phosphate monoester resulting from the formal condensation of equimolar amounts of phosphoric acid with the hydroxy group of tedizolid . It is a prodrug of tedizolid, used for the treatment of acute bacterial skin infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles		antimicrobial agent;
prodrug;
protein synthesis inhibitor
psi 697
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid: inhibitor of P selectin that decreases vein wall injury in a rat stenosis model of venous thrombosis		3.5110
azd1283
[no description available]		3.5110
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine
[no description available]		3.5110indoles
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1h)-one
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one: an antimalarial; structure in first source		3.5110
gs-9973
[no description available]		3.5110
ddd107498
DDD107498: has antimalarial activity; structure in first source		3.5110
ConditionIndicatedRelationship StrengthStudiesTrials
Allodynia
[description not available]		02.7330
Innate Inflammatory Response
[description not available]		02.4520
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.		02.4520
Pyrexia
[description not available]		02.0410
Fever
An abnormal elevation of body temperature, usually as a result of a pathologic process.		02.0410
Ache
[description not available]		02.0510
Pain
An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.		02.0510
Congenital Zika Syndrome
[description not available]		02.2510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.2510
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510
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