TDR Targets

Basic information

Technical information

TDR Targets ID: 2077866
Name: N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-c arboxamide hydrochloride
MW: 282.789 | Formula: C13H15ClN2OS
H donors: 0 H acceptors: 2 LogP: 3.12 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=O)c1cccs1)CCc1ccccn1.Cl
InChi: 1S/C13H14N2OS.ClH/c1-15(13(16)12-6-4-10-17-12)9-7-11-5-2-3-8-14-11;/h2-6,8,10H,7,9H2,1H3;1H
InChiKey: NABWGUVDGYCRET-UHFFFAOYSA-N

Network

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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

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Clustering layers

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Synonyms

N-methyl-N-[2-(2-pyridyl)ethyl]thiophene-2-carboxamide hydrochloride
N-methyl-N-[2-(2-pyridyl)ethyl]-2-thiophenecarboxamide hydrochloride
T5353618

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	thioredoxin glutathione reductase	0.0057	0.0356	0.0343
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.009	0.0762	0.2522
Onchocerca volvulus		0.0061	0.0407	0.0972
Echinococcus multilocularis	lamin dm0	0.0061	0.0407	0.0394
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.013	0.1265	0.5559
Brugia malayi	hypothetical protein	0.0136	0.1338	0.4176
Brugia malayi	Pre-SET motif family protein	0.0036	0.0095	0.028
Echinococcus multilocularis	musashi	0.0061	0.0407	0.0394
Schistosoma mansoni	lamin	0.0061	0.0407	0.0407
Entamoeba histolytica	hypothetical protein	0.0043	0.0187	1
Brugia malayi	thymidylate synthase	0.0189	0.1991	0.6226
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0106	0.0333
Mycobacterium tuberculosis	Hypothetical protein	0.009	0.0762	0.2482
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0095	0.0081
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.025	0.025
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0109	0.0995	0.0995
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.0529	0.0516
Plasmodium vivax	SET domain protein, putative	0.0036	0.0095	0.0239
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0033	0.0054	0.017
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0266	0.2947	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.013	0.1265	0.5559
Loa Loa (eye worm)	glutathione reductase	0.0057	0.0356	0.1116
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0095	0.0239
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.025	0.0237
Loa Loa (eye worm)	flap endonuclease-1	0.0031	0.0038	0.0118
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.025	0.0237
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.013	0.1265	0.5559
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.0529	0.0529
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0145	0.1446	0.6072
Loa Loa (eye worm)	hypothetical protein	0.003	0.0014	0.0044
Toxoplasma gondii	thioredoxin reductase	0.0057	0.0356	0.1134
Schistosoma mansoni	lamin	0.0061	0.0407	0.0407
Echinococcus granulosus	chromobox protein 1	0.0098	0.0863	0.0851
Brugia malayi	jmjC domain containing protein	0.0071	0.0529	0.1642
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.0529	0.0516
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0266	0.2947	1
Trichomonas vaginalis	chromobox protein, putative	0.0065	0.0449	0.1299
Trichomonas vaginalis	chromobox protein, putative	0.0098	0.0863	0.261
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0529	0.0529
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0064	0.0437	0.0437
Schistosoma mansoni	intermediate filament proteins	0.0061	0.0407	0.0407
Leishmania major	trypanothione reductase	0.0057	0.0356	0.1134
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.025	0.025
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0077	0.0603	0.1508
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0371	0.1145
Plasmodium vivax	thioredoxin reductase, putative	0.0057	0.0356	0.1134
Plasmodium falciparum	flap endonuclease 1	0.0031	0.0038	0.0043
Loa Loa (eye worm)	hypothetical protein	0.003	0.0025	0.0079
Loa Loa (eye worm)	heterochromatin protein 1	0.0098	0.0863	0.2702
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.025	0.0237
Brugia malayi	hypothetical protein	0.0043	0.0187	0.0568
Onchocerca volvulus		0.0136	0.1338	0.3979
Trypanosoma cruzi	trypanothione reductase, putative	0.0057	0.0356	0.1134
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0404	0.1158
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0078	0.0065
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0061	0.0407	0.1275
Plasmodium falciparum	thioredoxin reductase	0.0057	0.0356	0.1134
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0371	0.037
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0404	0.1158
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.013	0.1265	0.5559
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0266	0.2947	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0529	0.1657
Mycobacterium tuberculosis	Probable oxidoreductase	0.0145	0.1446	0.6664
Onchocerca volvulus		0.0061	0.0407	0.0972
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0145	0.1446	0.6664
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.3201	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0529	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0095	0.0297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.025	0.025
Echinococcus multilocularis	lamin	0.0061	0.0407	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1338	0.4187
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0187	0.0187
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0065	0.0449	0.1106
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0095	0.0095
Echinococcus granulosus	flap endonuclease 1	0.0031	0.0038	0.0024
Giardia lamblia	Flap structure-specific endonuclease	0.0031	0.0038	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.2769	0.8669
Brugia malayi	Dihydrofolate reductase	0.0077	0.0603	0.1873
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0062	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0286	0.3195	1
Brugia malayi	jmjC domain containing protein	0.0071	0.0529	0.1642
Echinococcus granulosus	intermediate filament protein	0.0061	0.0407	0.0394
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.0529	0.0516
Onchocerca volvulus		0.0058	0.0371	0.0854
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0187	0.0173
Loa Loa (eye worm)	intermediate filament protein	0.0061	0.0407	0.1275
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0189	0.1991	1
Loa Loa (eye worm)	thymidylate synthase	0.0189	0.1991	0.6233
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0061	0.0404	0.0962
Entamoeba histolytica	hypothetical protein	0.0043	0.0187	1
Brugia malayi	glutathione reductase	0.0057	0.0356	0.11
Brugia malayi	Thioredoxin reductase	0.0057	0.0356	0.11
Echinococcus multilocularis	flap endonuclease 1	0.0031	0.0038	0.0024
Echinococcus granulosus	lamin	0.0061	0.0407	0.0394
Echinococcus multilocularis	chromobox protein 1	0.0098	0.0863	0.0851
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.013	0.1265	0.4771
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0407	0.1275
Schistosoma mansoni	chromobox protein	0.0098	0.0863	0.0863
Brugia malayi	Pre-SET motif family protein	0.0251	0.2769	0.8666
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.025	0.0767
Echinococcus granulosus	chromobox protein 1	0.0098	0.0863	0.0851
Loa Loa (eye worm)	dihydrofolate reductase	0.0077	0.0603	0.1887
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.025	0.0783
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0266	0.2947	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0189	0.1991	1
Plasmodium falciparum	glutathione reductase	0.0057	0.0356	0.1134
Echinococcus multilocularis	thymidylate synthase	0.0189	0.1991	0.198
Brugia malayi	hypothetical protein	0.0286	0.3195	1
Onchocerca volvulus		0.0189	0.1991	0.6091
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0031	0.0038	0.0043
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0031	0.0038	0.0043
Onchocerca volvulus		0.0136	0.1338	0.3979
Brugia malayi	Heterochromatin protein 1	0.0098	0.0863	0.269
Schistosoma mansoni	hypothetical protein	0.0043	0.0187	0.0187
Brugia malayi	intermediate filament protein	0.0061	0.0407	0.1259
Echinococcus granulosus	dihydrofolate reductase	0.0077	0.0603	0.059
Loa Loa (eye worm)	thioredoxin reductase	0.0057	0.0356	0.1116
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0266	0.2947	1
Brugia malayi	Flap endonuclease-1	0.0031	0.0038	0.0101
Brugia malayi	dihydrofolate reductase family protein	0.0077	0.0603	0.1873
Onchocerca volvulus		0.0064	0.0437	0.1069
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0095	0.0095
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0187	0.0173
Trichomonas vaginalis	chromobox protein, putative	0.0098	0.0863	0.261
Echinococcus granulosus	thymidylate synthase	0.0189	0.1991	0.198
Entamoeba histolytica	hypothetical protein	0.0043	0.0187	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0062	0.0076
Mycobacterium tuberculosis	Probable dehydrogenase	0.013	0.1265	0.5559
Onchocerca volvulus		0.0286	0.3201	1
Brugia malayi	chromobox protein homolog 3	0.0061	0.0404	0.1249
Echinococcus multilocularis	chromobox protein 1	0.0098	0.0863	0.0851
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0095	0.0081
Trypanosoma brucei	trypanothione reductase	0.0057	0.0356	0.1134
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.3195	0.3185
Mycobacterium tuberculosis	Probable reductase	0.013	0.1265	0.5559
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.0529	0.0516
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0145	0.1446	0.6664
Brugia malayi	Intermediate filament tail domain containing protein	0.0061	0.0407	0.1259
Brugia malayi	hypothetical protein	0.003	0.0025	0.0061
Schistosoma mansoni	chromobox protein	0.0098	0.0863	0.0863
Mycobacterium ulcerans	thymidylate synthase	0.0189	0.1991	1
Echinococcus granulosus	Ankyrin repeat domain containing protein	0.0109	0.0995	0.0983
Echinococcus multilocularis	Ankyrin repeat domain containing protein	0.0109	0.0995	0.0983
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.025	0.0237
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0031	0.0038	0.0043
Plasmodium vivax	glutathione reductase, putative	0.0057	0.0356	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0404	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1338	0.4187
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.3195	0.3185
Brugia malayi	hypothetical protein	0.009	0.0762	0.2372
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0095	0.0081
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0095	0.0095
Schistosoma mansoni	dihydrofolate reductase	0.0077	0.0603	0.0603
Echinococcus multilocularis	dihydrofolate reductase	0.0077	0.0603	0.059
Echinococcus granulosus	lamin dm0	0.0061	0.0407	0.0394
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0031	0.0038	0.0043
Entamoeba histolytica	hypothetical protein	0.0043	0.0187	1
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0109	0.0995	0.0995
Chlamydia trachomatis	dihydrofolate reductase	0.0077	0.0603	0.5
Plasmodium vivax	flap endonuclease 1, putative	0.0031	0.0038	0.0043
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0266	0.2947	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0762	0.229
Schistosoma mansoni	hypothetical protein	0.0058	0.0371	0.037
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0189	0.1991	0.1991
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0057	0.0356	0.0343
Brugia malayi	M-phase phosphoprotein, mpp8	0.0136	0.1338	0.4176
Brugia malayi	cytoplasmic intermediate filament protein	0.0033	0.0054	0.0152
Loa Loa (eye worm)	hypothetical protein	0.006	0.0393	0.1231
Trichomonas vaginalis	chromobox protein, putative	0.0065	0.0449	0.1299

Activities

No activities found for this compound.

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: CHEMBL3498161

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 2077866