Detailed information for compound 870239

Basic information

Technical information
  • TDR Targets ID: 870239
  • Name: 2-[(3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro- 1-benzothiophene-3-carboxamide
  • MW: 345.373 | Formula: C16H15N3O4S
  • H donors: 2 H acceptors: 4 LogP: 3.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCCC2
  • InChi: 1S/C16H15N3O4S/c17-14(20)13-11-6-1-2-7-12(11)24-16(13)18-15(21)9-4-3-5-10(8-9)19(22)23/h3-5,8H,1-2,6-7H2,(H2,17,20)(H,18,21)
  • InChiKey: UYZQNCIMGGASIX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 2-[[(3-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 2-[(3-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • ZINC01466004
  • Oprea1_340821
  • EU-0000599
  • T0504-2735

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0058 0.0198 0.0451
Echinococcus granulosus lamin 0.0054 0.0175 0.0233
Loa Loa (eye worm) hypothetical protein 0.0036 0.0061 0.0464
Trichomonas vaginalis thymidylate kinase, putative 0.0149 0.0773 0.2331
Trypanosoma cruzi thymidylate kinase, putative 0.0149 0.0773 0.2331
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0018 0.0137
Schistosoma mansoni lipoxygenase 0.0055 0.018 0.0192
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0153 0.0458
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.018 0.018
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0149 0.0773 0.5909
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0137 0.0921
Brugia malayi exodeoxyribonuclease III family protein 0.0058 0.0198 0.14
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0252 0.1588
Loa Loa (eye worm) hypothetical protein 0.0036 0.0061 0.0464
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0131 0.0877
Echinococcus granulosus thymidine kinase 0.1222 0.7499 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0467 0.3487
Schistosoma mansoni ap endonuclease 0.0058 0.0198 0.0217
Schistosoma mansoni hypothetical protein 0.0168 0.089 0.1143
Onchocerca volvulus Putative thymidylate kinase 0.0149 0.0773 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0059 0.0204 0.047
Loa Loa (eye worm) hypothetical protein 0.005 0.0153 0.1174
Schistosoma mansoni thymidine kinase 0.1222 0.7499 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0149 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0061 0.0464
Schistosoma mansoni lamin 0.0054 0.0175 0.0186
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0301 0.0786
Echinococcus multilocularis geminin 0.0168 0.089 0.089
Schistosoma mansoni thymidylate kinase 0.0149 0.0773 0.0987
Brugia malayi hypothetical protein 0.0036 0.006 0.033
Plasmodium vivax thymidylate kinase, putative 0.0149 0.0773 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0131 0.0127
Echinococcus multilocularis musashi 0.0054 0.0175 0.0175
Trypanosoma brucei thymidine kinase 0.0523 0.3116 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0036 0.0036
Chlamydia trachomatis thymidylate kinase 0.0149 0.0773 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.0301 0.337
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0061 0.0464
Brugia malayi Inositol-1 0.0074 0.0301 0.2194
Onchocerca volvulus 0.0048 0.0137 0.1067
Schistosoma mansoni ap endonuclease 0.0058 0.0198 0.0217
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.1306 0.1741
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0149 0.0773 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0061 0.0331
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0301 0.0786
Trypanosoma brucei thymidylate kinase, putative 0.0149 0.0773 0.2453
Schistosoma mansoni thyroid hormone receptor 0.0145 0.0746 0.0951
Loa Loa (eye worm) hypothetical protein 0.01 0.0467 0.3576
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0131 0.0131
Entamoeba histolytica Thymidylate kinase, putative 0.0149 0.0773 0.2331
Trypanosoma cruzi thymidine kinase, putative 0.0523 0.3116 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0131 0.0131
Toxoplasma gondii exonuclease III APE 0.0058 0.0198 0.1934
Leishmania major hypothetical protein, conserved 0.005 0.0153 0.0304
Loa Loa (eye worm) hypothetical protein 0.0036 0.0061 0.0464
Trypanosoma brucei RNA helicase, putative 0.0226 0.1256 0.4011
Echinococcus multilocularis lamin dm0 0.0054 0.0175 0.0175
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.0301 0.337
Brugia malayi hypothetical protein 0.0033 0.0041 0.018
Brugia malayi thymidylate kinase 0.0149 0.0773 0.586
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.0301 0.0786
Schistosoma mansoni hypothetical protein 0.0149 0.0773 0.0987
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0061 0.016
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.006 0.0032
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0036 0.0278
Entamoeba histolytica thymidine kinase, putative 0.0523 0.3116 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0301 0.0786
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0301 0.0301
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.006 0.006
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.1222 0.7499 1
Trypanosoma cruzi thymidine kinase, putative 0.0523 0.3116 1
Schistosoma mansoni hypothetical protein 0.0048 0.0137 0.0134
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0131 0.1002
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0175 0.1339
Trypanosoma brucei thymidylate kinase, putative 0.0149 0.0773 0.2453
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0467 0.3487
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0036 0.0048
Plasmodium falciparum thymidylate kinase 0.0149 0.0773 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0058 0.0198 0.1934
Schistosoma mansoni hypothetical protein 0.0226 0.1256 0.1635
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0198 0.1934
Echinococcus granulosus geminin 0.0168 0.089 0.1186
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0058 0.0198 0.1143
Echinococcus granulosus intermediate filament protein 0.0054 0.0175 0.0233
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0061 0.0033
Schistosoma mansoni inositol monophosphatase 0.0074 0.0301 0.0354
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0301 0.0933
Leishmania major hypothetical protein, conserved 0.0059 0.0204 0.047
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0153 0.1303
Schistosoma mansoni hypothetical protein 0.0069 0.0268 0.031
Echinococcus multilocularis thymidylate kinase 0.0149 0.0773 0.0773
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0175 0.1218
Loa Loa (eye worm) thymidylate kinase 0.0149 0.0773 0.5917
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0058 0.0198 0.0198
Brugia malayi hypothetical protein 0.0234 0.1306 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0169 0.1292
Schistosoma mansoni hypothetical protein 0.0134 0.0678 0.086
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0131 0.0175
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0153 0.0304
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0467 0.3576
Brugia malayi beta-lactamase 0.0036 0.0061 0.0331
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0066 0.0252 0.2688
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0059 0.0204 0.047
Giardia lamblia CDC8 0.0149 0.0773 0.1969
Leishmania major thymidine kinase, putative 0.0523 0.3116 1
Giardia lamblia Thymidine kinase 0.0523 0.3116 1
Echinococcus granulosus thymidine kinase 0.1222 0.7499 1
Schistosoma mansoni intermediate filament proteins 0.0054 0.0175 0.0186
Echinococcus multilocularis thyroid hormone receptor alpha 0.0145 0.0746 0.0746
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0058 0.0198 0.0451
Onchocerca volvulus 0.0054 0.0175 0.1605
Schistosoma mansoni survival motor neuron protein 0.0048 0.0137 0.0134
Echinococcus multilocularis thymidine kinase 0.1222 0.7499 0.7499
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0036 0.0048
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0198 0.0725
Onchocerca volvulus 0.0054 0.0175 0.1605
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0198 0.0451
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0036 0.0061 0.0464
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0153 0.1303
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.1306 0.1306
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0131 0.0175
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0058 0.0198 0.0451
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0268 0.1939
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0131 0.0127
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.1266 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0036 0.0036
Echinococcus multilocularis transfer RNA-Ile 0.1222 0.7499 0.7499
Schistosoma mansoni hypothetical protein 0.0106 0.0504 0.0626
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0058 0.0198 0.0603
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0058 0.0198 0.1518
Schistosoma mansoni hypothetical protein 0.0168 0.089 0.1143
Echinococcus granulosus thymidylate kinase 0.0149 0.0773 0.103
Mycobacterium ulcerans thymidylate kinase 0.0149 0.0773 1
Schistosoma mansoni hypothetical protein 0.0036 0.006 0.0032
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0058 0.0198 0.0264
Trichomonas vaginalis thymidine kinase, putative 0.0523 0.3116 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0131 0.0127
Brugia malayi beta-lactamase family protein 0.0036 0.0061 0.0331
Schistosoma mansoni thyroid hormone receptor 0.0145 0.0746 0.0951
Giardia lamblia Deoxynucleoside kinase 0.0401 0.2352 0.7382
Loa Loa (eye worm) inositol-1 0.0074 0.0301 0.2302
Trichomonas vaginalis thymidine kinase, putative 0.0523 0.3116 1
Echinococcus multilocularis lamin 0.0054 0.0175 0.0175
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0061 0.0061
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0301 0.0401
Leishmania major thymidylate kinase-like protein 0.0149 0.0773 0.2331
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0058 0.0198 0.0451
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0301 0.0786
Schistosoma mansoni lamin 0.0054 0.0175 0.0186
Toxoplasma gondii thymidylate kinase 0.0149 0.0773 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0301 0.0786
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0175 0.1339
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.018 0.024
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0301 0.0786
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0061 0.0033
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0153 0.0304
Schistosoma mansoni inositol monophosphatase 0.0074 0.0301 0.0354
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0134 0.0678 0.0678
Brugia malayi beta-lactamase family protein 0.0036 0.0061 0.0331
Loa Loa (eye worm) hypothetical protein 0.0234 0.1306 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0036 0.0142
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0036 0.0142
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0198 0.0451
Schistosoma mansoni thymidylate kinase 0.0149 0.0773 0.0987
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0061 0.0081
Brugia malayi hypothetical protein 0.005 0.0153 0.1051
Loa Loa (eye worm) hypothetical protein 0.0036 0.0061 0.0464
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.0301 0.1781
Treponema pallidum thymidylate kinase (tmk) 0.0149 0.0773 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0134 0.0678 0.0904
Loa Loa (eye worm) hypothetical protein 0.0032 0.0036 0.0278
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.006 0.0081
Echinococcus granulosus lamin dm0 0.0054 0.0175 0.0233
Trypanosoma cruzi thymidylate kinase, putative 0.0149 0.0773 0.2331
Brugia malayi intermediate filament protein 0.0054 0.0175 0.1218
Trichomonas vaginalis thymidine kinase, putative 0.0523 0.3116 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0268 0.2049
Trichomonas vaginalis thymidylate kinase, putative 0.0149 0.0773 0.2331
Loa Loa (eye worm) hypothetical protein 0.0054 0.0175 0.1339
Loa Loa (eye worm) beta-lactamase 0.0036 0.0061 0.0464
Echinococcus multilocularis thymidine kinase 0.1222 0.7499 0.7499
Echinococcus granulosus GPCR family 2 0.0032 0.0036 0.0048

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

Bibliographic References

No literature references available for this target.

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