TDR Targets

Basic information

Technical information

TDR Targets ID: 1254136
Name: N-(2,3-dimethylphenyl)-2-(2-methyl-1,3-thiazo l-4-yl)acetamide
MW: 260.355 | Formula: C14H16N2OS
H donors: 1 H acceptors: 2 LogP: 2.89 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc(c1C)C)Cc1csc(n1)C
InChi: 1S/C14H16N2OS/c1-9-5-4-6-13(10(9)2)16-14(17)7-12-8-18-11(3)15-12/h4-6,8H,7H2,1-3H3,(H,16,17)
InChiKey: CEIZUEZKVQJVNH-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(2,3-dimethylphenyl)-2-(2-methylthiazol-4-yl)acetamide
N-(2,3-dimethylphenyl)-2-(2-methyl-4-thiazolyl)acetamide
N-(2,3-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamide
D265-0197
NCGC00117470-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0142	0.3709	0.3576
Echinococcus granulosus	lysine specific demethylase 5A	0.0041	0.0754	0.056
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0657	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0657	0.153
Brugia malayi	beta-lactamase	0.0038	0.0657	0.1524
Schistosoma mansoni	hypothetical protein	0.0043	0.082	0.1479
Schistosoma mansoni	immunophilin	0.0142	0.3709	0.843
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0657	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0657	0.153
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0142	0.3709	0.3576
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0165	0.4361	0.4243
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0163	0.4295	1
Leishmania major	fk506-binding protein 1-like protein	0.0163	0.4295	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0546	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0333	0.0774
Echinococcus multilocularis	lamin dm0	0.0029	0.0387	0.0185
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0165	0.4361	1
Leishmania major	hypothetical protein, conserved	0.0038	0.0657	0.1103
Schistosoma mansoni	jumonji domain containing protein	0.0089	0.2135	0.4643
Echinococcus multilocularis	lamin	0.0029	0.0387	0.0185
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0657	0.0705
Echinococcus multilocularis	peregrin	0.0034	0.0546	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0206	0.0479
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0657	0.1103
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0657	0.1103
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0387	0.0901
Echinococcus granulosus	intermediate filament protein	0.0029	0.0387	0.0185
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0333	0.031
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0657	0.1086
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30	0.0022	0.0206	0.0478
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0657	0.1103
Brugia malayi	hypothetical protein	0.0043	0.082	0.1903
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0657	0.1103
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0387	0.0436
Brugia malayi	Bromodomain containing protein	0.0034	0.0546	0.1266
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0156	0.4109	0.9392
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0156	0.4109	0.9392
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0657	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0657	0.153
Onchocerca volvulus		0.0038	0.0657	0.5147
Echinococcus granulosus	lamin dm0	0.0029	0.0387	0.0185
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-33	0.0022	0.0206	0.0479
Echinococcus granulosus	jumonji domain containing protein	0.0047	0.0934	0.0744
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.1082	0.2109
Onchocerca volvulus		0.0052	0.1082	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0165	0.4361	0.4243
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0163	0.4295	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.082	0.0627
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.6605	1
Leishmania major	hypothetical protein, conserved	0.0027	0.0333	0.031
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0387	0.0898
Trichomonas vaginalis	esterase, putative	0.0038	0.0657	0.1103
Brugia malayi	jmjC domain containing protein	0.0111	0.2803	0.6502
Schistosoma mansoni	lamin	0.0029	0.0387	0.0436
Entamoeba histolytica	hypothetical protein	0.0043	0.082	0.1479
Onchocerca volvulus		0.0029	0.0387	0.2067
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0111	0.2803	0.2652
Echinococcus granulosus	lamin	0.0029	0.0387	0.0185
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0657	0.0705
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0163	0.4295	1
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0163	0.4295	0.9964
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0022	0.0206	0.5
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0657	0.1103
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0657	0.1103
Onchocerca volvulus		0.0023	0.0222	0.0179
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0163	0.4295	1
Loa Loa (eye worm)	FKBP5 protein	0.0163	0.4295	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1254	0.292
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0372	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0141	0.3658	0.8517
Onchocerca volvulus		0.0038	0.0657	0.5147
Brugia malayi	beta-lactamase family protein	0.0038	0.0657	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0657	0.153
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0657	0.0705
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0163	0.4295	1
Brugia malayi	hypothetical protein	0.0027	0.0333	0.0772
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.0546	0.127
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0163	0.4295	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0041	0.0754	0.1756
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.082	0.1479
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0156	0.4109	0.3985
Trichomonas vaginalis	fk506-binding protein, putative	0.0163	0.4295	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.0657	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0657	0.153
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0754	0.132
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0163	0.4295	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0657	0.1524
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0657	0.0705
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-13	0.0022	0.0206	0.0479
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0156	0.4109	0.9531
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0657	0.0705
Onchocerca volvulus		0.0029	0.0387	0.2067
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0657	0.1086
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-30	0.0022	0.0206	0.0479
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.0546	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0546	0.127
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0546	0.7529
Brugia malayi	jmjC domain containing protein	0.0041	0.0754	0.175
Entamoeba histolytica	hypothetical protein	0.0043	0.082	0.1479
Entamoeba histolytica	hypothetical protein	0.0043	0.082	0.1479
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0156	0.4109	0.3985
Leishmania major	peptidylprolyl isomerase-like protein	0.0163	0.4295	1
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0546	0.0831
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0333	0.281
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0657	0.1103
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0657	0.0461
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0163	0.4295	1
Echinococcus granulosus	peregrin	0.0034	0.0546	0.0347
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0657	0.0705
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0111	0.2803	0.2652
Toxoplasma gondii	ABC1 family protein	0.0038	0.0657	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0657	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0387	0.0901
Echinococcus multilocularis	tumor protein p63	0.0358	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0657	0.1103
Onchocerca volvulus	Alhambra homolog	0.0034	0.0546	0.3875
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0156	0.4109	0.3985
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0163	0.4295	1
Echinococcus multilocularis	fk506 binding protein	0.0163	0.4295	0.4175
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0333	0.031
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0163	0.4295	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0163	0.4295	0.4175
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0163	0.4295	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0657	0.1103
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0657	0.0705
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0333	0.031
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0387	0.0901
Trichomonas vaginalis	immunophilin, putative	0.0163	0.4295	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1082	0.252
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.1602	0.373
Schistosoma mansoni	lamin	0.0029	0.0387	0.0436
Schistosoma mansoni	immunophilin	0.0165	0.4361	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0657	0.153
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0657	0.153
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0657	0.0461
Brugia malayi	beta-lactamase family protein	0.0038	0.0657	0.1524
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0657	1
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0022	0.0206	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0333	0.031
Echinococcus multilocularis	musashi	0.0029	0.0387	0.0185
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0163	0.4295	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0657	0.0705
Plasmodium falciparum	phd finger protein, putative	0.0034	0.0546	0.0831
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0333	0.031
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0156	0.4109	0.3985
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0163	0.4311	1
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0163	0.4295	1
Schistosoma mansoni	immunophilin	0.0165	0.4361	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0156	0.4109	0.9392
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0163	0.4295	0.9841
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0657	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0657	0.153
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0657	0.1103
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.082	0.0627
Entamoeba histolytica	hypothetical protein	0.0043	0.082	0.1479
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0546	0.7529
Brugia malayi	intermediate filament protein	0.0029	0.0387	0.0898
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.0546	0.0817
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0034	0.0546	0.0347
Giardia lamblia	PHD finger protein 15	0.0034	0.0546	0.0831
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0163	0.4295	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0156	0.4109	0.9566
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33	0.0022	0.0206	0.0478
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0163	0.4295	1
Echinococcus multilocularis	FK506 binding protein 8, 38 kDa	0.0025	0.0272	0.0068
Echinococcus multilocularis	jumonji domain containing protein	0.0047	0.0934	0.0744
Onchocerca volvulus		0.0038	0.0657	0.5147
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0657	0.0705
Chlamydia trachomatis	peptidyl-prolyl cis-trans isomerase	0.0022	0.0206	0.5
Brugia malayi	PHD-finger family protein	0.0034	0.0546	0.1266
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0165	0.4361	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0754	0.132
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13	0.0022	0.0206	0.0478
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.0754	0.056
Brugia malayi	hypothetical protein	0.0017	0.0056	0.0131
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0333	0.031

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.8048 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (binding)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1319532

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1254136