Compounds > ddd 85646
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ddd 85646

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Description

DDD 85646: a trypanocidal agent for treating African sleeping sickness; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID44199337
CHEMBL ID1230468
SCHEMBL ID16496785
MeSH IDM0546370

Synonyms (36)

Synonym
CHEMBL1230468 ,
2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
2,6-dichloro-4-(2-(piperazin-1-yl)pyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide ,
bdbm50364113
SCHEMBL16496785
ddd-85646
us9156811, ddd85646
bdbm184848
mmv688180
2,6-dichloro-4-[2-(piperazin-1-yl)pyridin-4-yl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
BCP28646
1215010-55-1
unii-dtx5cvk89g
2,6-dichloro-4-[2-(1-piperazinyl)-4-pyridinyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)-benzenesulfonamide
ddd 85646
Q27456208
ddd85646
pclx-002
benzenesulfonamide, 2,6-dichloro-4-(2-(1-piperazinyl)-4-pyridinyl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)-
DTX5CVK89G ,
pclx 002
imp 366
2,6-dichloro-4-(2-(1-piperazinyl)-4-pyridinyl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
MS-29199
SR-05000022657-1
sr-05000022657
AC-36960
2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
imp-366
gtpl11455
compound 1a [pmid: 24451586]
HY-103056
CS-0023728
2,6-dichloro-4-[2-(piperazin-1-yl)pyridin-4-yl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzene-1-sulfonamide
DTXSID701347812
AKOS040748226
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (4)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Glycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)IC50 (µMol)0.00300.00300.23620.8300AID1171508
Glycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)IC50 (µMol)0.00330.00300.15870.8300AID1171505; AID1477251; AID646358
Glycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)Ki0.09640.00400.09640.3000AID1545661; AID1545664; AID1545668; AID1545669; AID1545670; AID1545671; AID1545672; AID1545673; AID1545674; AID1545675; AID1545676; AID1545677; AID1545678
Potassium voltage-gated channel subfamily H member 2Homo sapiens (human)IC50 (µMol)28.00000.00091.901410.0000AID1171521; AID646383
Glycylpeptide N-tetradecanoyltransferase Leishmania majorIC50 (µMol)0.00200.00200.00200.0020AID646365
Glycylpeptide N-tetradecanoyltransferase Leishmania majorKi0.02120.00840.02120.0413AID1545660; AID1545665; AID1545667
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (30)

Processvia Protein(s)Taxonomy
N-terminal peptidyl-glycine N-myristoylationGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
regulation of opsin-mediated signaling pathwayGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
intracellular transport of virusGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
in utero embryonic developmentGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
N-terminal peptidyl-glycine N-myristoylationGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
regulation of opsin-mediated signaling pathwayGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
cellular ketone metabolic processGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
protein localization to membraneGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
N-terminal protein myristoylationGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
positive regulation of establishment of protein localization to mitochondrionGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
regulation of heart rate by cardiac conductionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of heart rate by hormonePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of membrane potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
positive regulation of DNA-templated transcriptionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion homeostasisPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cardiac muscle contractionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cellular response to xenobiotic stimulusPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
ventricular cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane depolarization during action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of heart rate by cardiac conductionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion export across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during ventricular cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
negative regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
positive regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
negative regulation of potassium ion export across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion import across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (15)

Processvia Protein(s)Taxonomy
glycylpeptide N-tetradecanoyltransferase activityGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
protein bindingGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
peptidyl-lysine N6-myristoyltransferase activityGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
glycylpeptide N-tetradecanoyltransferase activityGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
protein bindingGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
peptidyl-lysine N6-myristoyltransferase activityGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
myristoyltransferase activityGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
transcription cis-regulatory region bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
inward rectifier potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
delayed rectifier potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
ubiquitin protein ligase bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
identical protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
protein homodimerization activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
C3HC4-type RING finger domain bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
scaffold protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
cytoplasmGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
Golgi apparatusGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
cytosolGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
plasma membraneGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
host cellGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
cytoplasmGlycylpeptide N-tetradecanoyltransferase 2Homo sapiens (human)
cytoplasmGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
cytosolGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
plasma membraneGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
cytoplasmGlycylpeptide N-tetradecanoyltransferase 1Homo sapiens (human)
plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cell surfacePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
perinuclear region of cytoplasmPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel complexPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
inward rectifier potassium channel complexPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (71)

Assay IDTitleYearJournalArticle
AID1477251Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method2017Journal of medicinal chemistry, 12-14, Volume: 60, Issue:23
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
AID1171515AUC (0 to 8 hrs) in NMRI mouse at 10 mg/kg, po by UPLC-MS/MS method2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1171505Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-amide by scintillation proximity assay2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1477253CYtotoxicity against human MRC5 cells after 69 hrs by resazurin assay2017Journal of medicinal chemistry, 12-14, Volume: 60, Issue:23
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
AID646378Antitrypanosomal activity against Trypanosoma brucei brucei GVR35 infected in NMRI mouse assessed as increase in survival time at 100 mg/kg, po bid administered on day 21 post infection for 5 days after 21 days relative to control2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1545677Inhibition of human NMT1 R295Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1571163Cytotoxicity against human HeLa cells assessed as reduction in cell viability after 48 hrs by resazurin dye based fluorescence assay2018MedChemComm, Dec-01, Volume: 9, Issue:12
Screening of the Pathogen Box reveals new starting points for anti-trypanosomal drug discovery.
AID646368Volume of distribution in NMRI mouse at 3 mg/kg, iv and 10 mg/kg, po2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1545665Inhibition of Leishmania major NMT H398N mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1545663Inhibition of Leishmania major NMT H398N/M420L/L421Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID646372Fraction unbound in mouse plasma2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1171508Inhibition of human N-myristoyltransferase 2 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-amide by scintillation proximity assay2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1545671Inhibition of human NMT1 A452M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1545670Inhibition of human NMT1 R295Q/W297F/A452M/L453V/L462V/N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1171512Trypanocidal activity against bloodstream form of Trypanosoma brucei rhodesiense STIB900 infected in mouse stage 1 HAT model at 50 mg/kg, po bid for 4 days2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1545673Inhibition of human NMT1 A452M/L453V mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1171514Selectivity index, IC50 for human N-myristoyltransferase to EC50 for Trypanosoma brucei2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1545669Inhibition of human NMT1 Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1571159Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream forms after 48 hrs by resazurin dye based fluorescence assay2018MedChemComm, Dec-01, Volume: 9, Issue:12
Screening of the Pathogen Box reveals new starting points for anti-trypanosomal drug discovery.
AID1545667Inhibition of Leishmania major NMT L421Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1477256Ratio of drug level in mouse brain to bood2017Journal of medicinal chemistry, 12-14, Volume: 60, Issue:23
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
AID1171517Trypanocidal activity against bloodstream form of Trypanosoma brucei rhodesiense STIB900 infected in twice daily po dosed mouse2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1171507Antiproliferative activity against human MRC5 cells assessed as reduction cell viability incubated for 69 hrs by rezasurin dye based assay2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1571160Antitrypanosomal activity against Trypanosoma brucei brucei by pathogen box screening based assay2018MedChemComm, Dec-01, Volume: 9, Issue:12
Screening of the Pathogen Box reveals new starting points for anti-trypanosomal drug discovery.
AID1171510Plasma protein binding in mouse2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID646376Ratio of drug level in brain to blood in NMRI mouse2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1171506Antitrypanosomal activity against Trypanosoma brucei BSF427 expressing VSG118 infected in human MRC5 cells assessed as reduction cell viability incubated for 69 hrs by rezasurin dye based assay2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID646377Efflux ratio of permeability in human Caco2 cells2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1545662Selectivity index, ratio of Ki for inhibition of N-terminal TEV cleavage site-fused His6 tagged human NMT1 (115 to 496 residues) to Ki for inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues)2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID646373Fraction unbound in human plasma2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1477254Intrinsic clearance in mouse microsomes2017Journal of medicinal chemistry, 12-14, Volume: 60, Issue:23
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
AID646374Antitrypanosomal activity in Trypanosoma brucei brucei s427 infected po dosed NMRI mouse assessed as reduction in parasitemia administered twice a day after 3 days post infection for 4 days measured after 30 days2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1171521Inhibition of human ERG2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1171520Intrinsic clearance in CD1 mouse liver microsomes at 0.5 uM in presence of NADPH incubated for 3 to 30 mins by UPLC-MS/MS method2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID646384Inhibition of human CYP1A2 at 1 uM2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1545660Inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues) expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID646380Intrinsic clearance in rat liver microsomes2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1571161Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream forms assessed as parasite viability at 10 uM after 24 hrs by resazurin dye based fluorescence assay relative to control2018MedChemComm, Dec-01, Volume: 9, Issue:12
Screening of the Pathogen Box reveals new starting points for anti-trypanosomal drug discovery.
AID1545664Inhibition of human NMT1 N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID646383Inhibition of human ERG by automated patch clamp assay2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646367Blood clearance in NMRI mouse at 3 mg/kg, iv and 10 mg/kg, po2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646357Inhibition of Trypanosoma brucei N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1545672Inhibition of human NMT1 L453V mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1545675Inhibition of human NMT1 A452M/L453V/L495M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1545676Inhibition of human NMT1 W297F/A452M/L453V/L462V/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID646387Inhibition of human CYP2D6 at 1 uM2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1477250Inhibition of Trypanosoma brucei NMT using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 50 mins by scintillation/luminescence counting method2017Journal of medicinal chemistry, 12-14, Volume: 60, Issue:23
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
AID1477252Trypanocidal activity against bloodstream form of Trypanosoma brucei brucei s427 after 69 hrs by resazurin assay2017Journal of medicinal chemistry, 12-14, Volume: 60, Issue:23
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
AID646375Antitrypanosomal activity in Trypanosoma brucei rhodesiense infected po dosed NMRI mouse assessed as reduction in parasitemia administered twice a day after 3 days post infection for 4 days measured after 30 days2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1545674Inhibition of human NMT1 A452M/L453V/L462V mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1171516Oral bioavailability in NMRI mouse at 10 mg/kg by UPLC-MS/MS method2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1545678Inhibition of human NMT1 R295Q/N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID646358Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646386Inhibition of human CYP2C19 at 1 uM2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646385Inhibition of human CYP2C9 at 1 uM2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1171509Ratio of drug level in brain to blood in wild type NMRI mouse at 2 mg free base/kg, iv by UPLC-MS/MS method2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1545661Inhibition of N-terminal TEV cleavage site-fused His6 tagged human NMT1 (115 to 496 residues) expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID646382Intrinsic clearance in mouse liver microsomes2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646369Half life in NMRI mouse at 3 mg/kg, iv and 10 mg/kg, po2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646370Oral bioavailability in NMRI mouse at 10 mg/kg2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646388Inhibition of human CYP3A4 at 1 uM2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646365Inhibition of Leishmania major N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646359Antimicrobial activity against blood stream form Trypanosoma brucei BSF427 expressing VSG118 after 69 hrs by resazurin-based fluorescent assay2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1171504Inhibition of Trypanosoma brucei N-myristoyltransferase assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-amide by scintillation proximity assay2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1545668Inhibition of human NMT1 L495M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
AID1171511Trypanocidal activity against bloodstream form of Trypanosoma brucei brucei S427 infected in mouse stage 1 HAT model at 12.5 mg/kg, po bid for 4 days2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1171513Maximum tolerated dose in orally twice daily dosed mouse2014Journal of medicinal chemistry, Dec-11, Volume: 57, Issue:23
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
AID1571162Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream forms after 24 hrs by resazurin dye based fluorescence assay2018MedChemComm, Dec-01, Volume: 9, Issue:12
Screening of the Pathogen Box reveals new starting points for anti-trypanosomal drug discovery.
AID646366Inhibition of Trypanosoma cruzi N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID646381Intrinsic clearance in human liver microsomes2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
AID1545666Inhibition of Leishmania major NMT M420L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay2020Journal of medicinal chemistry, 03-12, Volume: 63, Issue:5
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (13)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's11 (84.62)24.3611
2020's2 (15.38)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.63

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 weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.63 (24.57)
Research Supply Index2.64 (2.92)
Research Growth Index5.27 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.63)

All Compounds (24.57)

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%
Other13 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
adenine
[no description available]		3.17106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyrazole
1H-pyrazole : The 1H-tautomer of pyrazole.		2.0510pyrazole
eflornithine
Eflornithine: An inhibitor of ORNITHINE DECARBOXYLASE, the rate limiting enzyme of the polyamine biosynthetic pathway.. eflornithine : A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2.		2.110alpha-amino acid;
fluoroamino acid		trypanocidal drug
fluoxetine
Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.		2.1710(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
iodoquinol
Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide.. iodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis.		2.1710monohydroxyquinoline;
organoiodine compound		antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.		2.1710aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
emetine
Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.		2.1710isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
melarsoprol
Melarsoprol: Arsenical used in trypanosomiases. It may cause fatal encephalopathy and other undesirable side effects.		2.0710triazines
alpha-aminopyridine
alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.		4.81110
myristic acid
Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.		3.1710long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
Thiophene-2
[no description available]		2.1710organosulfur heterocyclic compound
dasatinib
N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).		3.17101,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
danusertib
[no description available]		2.1710piperazines
pha 848125
N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor		2.1710
azd5438
[no description available]		2.1710sulfonamide
pci 32765
ibrutinib: a Btk protein inhibitor. ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.		3.1710acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
piperidines
Piperidines: A family of hexahydropyridines.		3.1710
ConditionIndicatedRelationship StrengthStudiesTrials
African Sleeping Sickness
[description not available]		03.1850
Trypanosomiasis, African
A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals.		03.1850
B-Cell Lymphoma
[description not available]		03.1710
Lymphoma, B-Cell
A group of heterogeneous lymphoid tumors generally expressing one or more B-cell antigens or representing malignant transformations of B-lymphocytes.		03.1710
Coxsackie Virus Infections
[description not available]		02.1710