TDR Targets

Basic information

Technical information

TDR Targets ID: 838388
Name: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxamide
MW: 435.378 | Formula: C20H23BrN2O2S
H donors: 2 H acceptors: 2 LogP: 5.74 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C
InChi: 1S/C20H23BrN2O2S/c1-20(2,3)12-6-9-14-15(10-12)26-19(16(14)17(22)24)23-18(25)11-4-7-13(21)8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3,(H2,22,24)(H,23,25)
InChiKey: KWLJACLXVVLYJT-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

2-[(4-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[[(4-bromophenyl)-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-[(4-bromophenyl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
BIM-0021703.P001
IVK/8099538
CBMicro_021752
Oprea1_819057

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
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0242	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1006	0.1576
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.1006	0.1006
Echinococcus granulosus	carboxylesterase 5A	0.0135	0.3666	0.3666
Echinococcus multilocularis	slit 2 protein	0.0024	0.0277	0.0277
Schistosoma mansoni	cell polarity protein	0.0024	0.0277	0.0277
Echinococcus granulosus	acetylcholinesterase	0.0135	0.3666	0.3666
Echinococcus granulosus	tumor protein p63	0.0326	0.952	0.952
Echinococcus granulosus	neurogenic locus notch protein	0.0024	0.0277	0.0277
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0117	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0379
Brugia malayi	laminin alpha chain	0.0024	0.0277	0.0433
Schistosoma mansoni	ap endonuclease	0.0019	0.0117	0.0117
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0117	0.0184
Trichomonas vaginalis	spcc417.12 protein, putative	0.0023	0.0242	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0379
Echinococcus granulosus	neuroligin	0.0023	0.0242	0.0242
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0023	0.0242	0.0242
Echinococcus granulosus	BC026374 protein S09 family	0.0023	0.0242	0.0242
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0135	0.3666	0.3666
Brugia malayi	Carboxylesterase family protein	0.0135	0.3666	0.5743
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0023	0.0242	0.0242
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0117	0.0117
Schistosoma mansoni	lipoxygenase	0.0055	0.1223	0.1223
Schistosoma mansoni	polycystin 1-related	0.002	0.0145	0.0145
Brugia malayi	EGF-like domain containing protein	0.0024	0.0277	0.0433
Brugia malayi	Carboxylesterase family protein	0.0023	0.0242	0.0379
Brugia malayi	Carboxylesterase family protein	0.0135	0.3666	0.5743
Schistosoma mansoni	hypothetical protein	0.0342	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0023	0.0242	0.0242
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0242	0.0242
Onchocerca volvulus		0.0023	0.0242	0.2406
Echinococcus multilocularis	neurogenic locus notch protein	0.0024	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0379
Schistosoma mansoni	lipoxygenase	0.002	0.0145	0.0145
Onchocerca volvulus		0.002	0.0145	0.1442
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0242	0.0242
Brugia malayi	Carboxylesterase family protein	0.0023	0.0242	0.0379
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0224	0.6383	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0227
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.1223	0.1223
Echinococcus multilocularis	acetylcholinesterase	0.0135	0.3666	0.3666
Schistosoma mansoni	slit	0.0024	0.0277	0.0277
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.1223	0.1223
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0379
Onchocerca volvulus		0.0048	0.1006	1
Brugia malayi	follicle stimulating hormone receptor	0.0224	0.6383	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0145	0.0145
Brugia malayi	Doublecortin family protein	0.002	0.0145	0.0227
Onchocerca volvulus		0.0023	0.0242	0.2406
Brugia malayi	Carboxylesterase family protein	0.0023	0.0242	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0379
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0023	0.0242	1
Echinococcus multilocularis	geminin	0.0342	1	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0023	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0135	0.3666	0.5743
Loa Loa (eye worm)	acetylcholinesterase 1	0.0135	0.3666	0.5743
Schistosoma mansoni	rab6-interacting	0.002	0.0145	0.0145
Echinococcus multilocularis	RUN	0.002	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0379
Schistosoma mansoni	ap endonuclease	0.0019	0.0117	0.0117
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0145	0.0145
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0023	0.0242	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0277	0.0433
Schistosoma mansoni	gliotactin	0.0023	0.0242	0.0242
Echinococcus granulosus	acetylcholinesterase	0.0135	0.3666	0.3666
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0145	0.0227
Loa Loa (eye worm)	carboxylesterase	0.0135	0.3666	0.5743
Schistosoma mansoni	BC026374 protein (S09 family)	0.0023	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0227
Toxoplasma gondii	exonuclease III APE	0.0019	0.0117	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0117	0.0184
Schistosoma mansoni	hypothetical protein	0.002	0.0145	0.0145
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0024	0.0277	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0277	0.0433
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0023	0.0242	0.0242
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0145	0.0145
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0117	0.5
Schistosoma mansoni	rab6-interacting	0.002	0.0145	0.0145
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0117	0.5
Echinococcus granulosus	slit 2 protein	0.0024	0.0277	0.0277
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0024	0.0277	0.0433
Schistosoma mansoni	loxhd1	0.002	0.0145	0.0145
Onchocerca volvulus		0.0023	0.0242	0.2406
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0242	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0117	0.5
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0242	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0135	0.3666	0.5743
Schistosoma mansoni	laminin gamma-3 chain	0.0024	0.0277	0.0277
Mycobacterium ulcerans	carboxylesterase, LipT	0.0023	0.0242	1
Schistosoma mansoni	hypothetical protein	0.0342	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0117	0.5
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0117	0.0117
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0145	1
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0145	0.0145
Echinococcus granulosus	RUN	0.002	0.0145	0.0145
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0145	1
Echinococcus multilocularis	neuroligin	0.0023	0.0242	0.0242
Echinococcus granulosus	pikachurin	0.0024	0.0277	0.0277
Echinococcus multilocularis	pikachurin	0.0024	0.0277	0.0277
Schistosoma mansoni	acetylcholinesterase	0.0023	0.0242	0.0242
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0242	0.0242
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0145	0.0145
Brugia malayi	hypothetical protein	0.002	0.0145	0.0227
Loa Loa (eye worm)	abnormal epIthelia family member	0.0024	0.0277	0.0433
Echinococcus granulosus	para nitrobenzyl esterase	0.0023	0.0242	0.0242
Brugia malayi	hypothetical protein	0.0023	0.0242	0.0379
Echinococcus multilocularis	tumor protein p63	0.0326	0.952	0.952
Onchocerca volvulus		0.0023	0.0242	0.2406
Echinococcus multilocularis	carboxylesterase 5A	0.0135	0.3666	0.3666
Brugia malayi	hypothetical protein	0.002	0.0145	0.0227
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0024	0.0277	0.0277
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0117	0.5
Onchocerca volvulus		0.0023	0.0242	0.2406
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0117	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0135	0.3666	0.3666
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0117	0.5
Onchocerca volvulus		0.002	0.0145	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0277	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0379
Brugia malayi	Carboxylesterase family protein	0.0023	0.0242	0.0379
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0242	0.0379

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 838388