TDR Targets

Basic information

Technical information

TDR Targets ID: 617644
Name: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dih ydro-4H-thieno[5,4-c]pyridin-2-yl]benzamide
MW: 433.546 | Formula: C23H19N3O2S2
H donors: 1 H acceptors: 3 LogP: 4.26 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)N1CCc2c(C1)sc(c2c1nc2c(s1)cccc2)NC(=O)c1ccccc1
InChi: 1S/C23H19N3O2S2/c1-14(27)26-12-11-16-19(13-26)30-23(25-21(28)15-7-3-2-4-8-15)20(16)22-24-17-9-5-6-10-18(17)29-22/h2-10H,11-13H2,1H3,(H,25,28)
InChiKey: CAODBNAOVSAVGL-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-[3-(1,3-benzothiazol-2-yl)-6-ethanoyl-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]benzamide

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
Onchocerca volvulus		0.0036	0.0316	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.0316	0.5109
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0097	0.3308	0.309
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0312	0.0368
Echinococcus granulosus	tar DNA binding protein	0.0201	0.8462	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0843	0.0996
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0316	0.0373
Brugia malayi	Thioredoxin reductase	0.0042	0.0619	0.0731
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0316	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0042	0.0619	0.0731
Leishmania major	trypanothione reductase	0.0042	0.0619	1
Plasmodium falciparum	thioredoxin reductase	0.0042	0.0619	1
Brugia malayi	jmjC domain containing protein	0.0036	0.0312	0.0368
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0097	0.3308	0.309
Loa Loa (eye worm)	RNA binding protein	0.0201	0.8462	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0312	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0316	0.0373
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0843	0.0996
Brugia malayi	glutathione reductase	0.0042	0.0619	0.0731
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.5145	0.608
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.2373	0.2804
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0316	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0201	0.8462	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0312	0.0368
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0316	0.0373
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0108	0.3843	1
Brugia malayi	TAR-binding protein	0.0201	0.8462	1
Trypanosoma brucei	trypanothione reductase	0.0042	0.0619	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0312	0.0368
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0316	0.5109
Brugia malayi	jmjC domain containing protein	0.0098	0.337	0.3982
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.1577	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0316	0.0373
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0316	0.0373
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0843	0.0996
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0316	0.0373
Toxoplasma gondii	thioredoxin reductase	0.0042	0.0619	1
Onchocerca volvulus		0.0036	0.0316	1
Plasmodium falciparum	glutathione reductase	0.0042	0.0619	1
Brugia malayi	beta-lactamase	0.0036	0.0316	0.0373
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0316	0.5
Brugia malayi	RNA binding protein	0.0201	0.8462	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0316	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0843	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1058	0.125
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0108	0.3843	0.3642
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.058	0.0685
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0316	0.5
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0316	0.5
Loa Loa (eye worm)	glutathione reductase	0.0042	0.0619	0.0731
Echinococcus multilocularis	tar DNA binding protein	0.0201	0.8462	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0316	0.0373
Plasmodium vivax	thioredoxin reductase, putative	0.0042	0.0619	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0316	0.0373
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0108	0.3843	0.3642
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.058	0.0685
Mycobacterium tuberculosis	Probable reductase	0.0097	0.3308	0.309
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0097	0.3308	0.309
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0843	0.0996
Brugia malayi	MH2 domain containing protein	0.0134	0.5145	0.608
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0843	0.0996
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0201	0.8462	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0316	0.0373
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0843	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0316	0.0373
Schistosoma mansoni	tar DNA-binding protein	0.0201	0.8462	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.337	0.3982
Trypanosoma cruzi	trypanothione reductase, putative	0.0042	0.0619	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0316	0.0373
Mycobacterium tuberculosis	Probable dehydrogenase	0.0097	0.3308	0.309
Mycobacterium ulcerans	lipase LipD	0.0036	0.0316	0.5
Onchocerca volvulus		0.0036	0.0316	1
Loa Loa (eye worm)	TAR-binding protein	0.0201	0.8462	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0097	0.3308	0.8485
Giardia lamblia	PHD finger protein 15	0.003	0	0.5
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0312	0.0368
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.337	0.3982
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0097	0.3308	0.309
Brugia malayi	RNA recognition motif domain containing protein	0.0201	0.8462	1
Schistosoma mansoni	tar DNA-binding protein	0.0201	0.8462	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0316	0.5
Plasmodium vivax	glutathione reductase, putative	0.0042	0.0619	1
Schistosoma mansoni	tar DNA-binding protein	0.0201	0.8462	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0316	0.0373
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0316	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0316	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0316	0.0373
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0043	0.0647	0.0764
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0843	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0316	0.0373
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0316	0.0373
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.5145	0.608
Schistosoma mansoni	tar DNA-binding protein	0.0201	0.8462	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.3843	0.3642
Trichomonas vaginalis	esterase, putative	0.0036	0.0316	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.0043	0.0647	0.0764
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0843	0.0996
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0042	0.0619	0.0312

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 617644