Detailed information for compound 2135013

Basic information

Technical information
  • TDR Targets ID: 2135013
  • Name: AQ-390/42869117
  • MW: 396.078 | Formula: C20H16N2O5S
  • H donors: 2 H acceptors: 5 LogP: 2.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: CCn1c2ccc(c3c2c(c1=O)ccc3)S(=O)(=O)Nc1cccc(c1)C(=O)O
  • InChi: InChI=1S/C20H16N2O5S/c1-2-22-16-9-10-17(14-7-4-8-15(18(14)16)19(22)23)28(26,27)21-13-6-3-5-12(11-13)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
  • InChiKey: CBPXBCVQCOZQPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-{[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoic acid

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
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0129 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0026 0.0158
Loa Loa (eye worm) hypothetical protein 0.0034 0.0093 0.1136
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0201 0.2449
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0129 0.0116
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0074 0.5256
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0151 0.1712
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0047 0.0034
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0026 0.0158
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0037 0.2058
Mycobacterium ulcerans lipase LipD 0.0043 0.0129 0.0116
Schistosoma mansoni lamin 0.0027 0.0067 0.0728
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0129 1
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0013 0.0159
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0047 0.0021
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.1578
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0037 0.037
Brugia malayi beta-lactamase family protein 0.0043 0.0129 0.1442
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0096 0.7168
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0039 0.0114 0.1713
Echinococcus granulosus tar DNA binding protein 0.0063 0.0201 0.3217
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0026 0.0176
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0026 0.1107
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0074 0.5256
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0129 0.1831
Loa Loa (eye worm) hypothetical protein 0.0026 0.0065 0.0795
Loa Loa (eye worm) hypothetical protein 0.0029 0.0074 0.0905
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0037 0.2058
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0074 0.0061
Echinococcus granulosus lamin 0.0027 0.0067 0.0892
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0096 0.7982
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0037 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0129 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0129 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.1578
Trichomonas vaginalis esterase, putative 0.0043 0.0129 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0037 0.0297
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0074 0.0061
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0026 0.0176
Brugia malayi TAR-binding protein 0.0063 0.0201 0.2328
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0096 0.6434
Schistosoma mansoni ap endonuclease 0.0019 0.0037 0.0197
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0105 0.0358 0.5954
Loa Loa (eye worm) hypothetical protein 0.0013 0.0016 0.0191
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0037 0.2058
Treponema pallidum cysteinyl-tRNA synthetase 0.0039 0.0114 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0074 0.0758
Mycobacterium tuberculosis Conserved protein 0.0043 0.0129 0.0104
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.1578
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0201 0.2449
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0067 0.0817
Schistosoma mansoni hypothetical protein 0.0168 0.0591 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0013 0.0159
Loa Loa (eye worm) hypothetical protein 0.0029 0.0074 0.0905
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0039 0.0114 0.87
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0093 0.0993
Echinococcus multilocularis lamin dm0 0.0027 0.0067 0.0892
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0096 0.7168
Leishmania major basic transcription factor 3a, putative 0.0035 0.0096 0.7168
Schistosoma mansoni ap endonuclease 0.0019 0.0037 0.0197
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0074 0.0048
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.0178
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0074 0.4815
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0043 0.0017
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0026 0.0176
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0101 0.0343 0.5698
Schistosoma mansoni transcription factor btf3 0.0035 0.0096 0.1249
Plasmodium vivax cysteine--tRNA ligase, putative 0.0039 0.0114 0.8538
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0129 0.1578
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0037 0.2058
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0026 0.1107
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0039 0.0114 0.87
Mycobacterium leprae Probable lipase LipE 0.0043 0.0129 0.0056
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0039 0.0114 0.1393
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0067 0.0817
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0074 0.0061
Brugia malayi beta-NAC-like protein 0.0035 0.0096 0.1033
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0039 0.0114 0.1254
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0074 0.0048
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0026 0.0178
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0026 0.0176
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0129 0.1831
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0129 0.0056
Loa Loa (eye worm) RNA binding protein 0.0063 0.0201 0.2449
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.1578
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0169
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.1578
Toxoplasma gondii ABC1 family protein 0.0043 0.0129 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0026 0.0315
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0201 0.3096
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0129 0.0104
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0074 0.0061
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0129 0.0104
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0074 0.4815
Mycobacterium ulcerans hypothetical protein 0.0029 0.0074 0.0061
Loa Loa (eye worm) hypothetical protein 0.0016 0.0026 0.0315
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0201 0.3096
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0129 0.1975
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0039 0.0114 1
Leishmania major cysteinyl-tRNA synthetase, putative 0.0039 0.0114 0.87
Loa Loa (eye worm) hypothetical protein 0.0049 0.0151 0.1844
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0039 0.0114 0.87
Onchocerca volvulus 0.0029 0.0074 0.1151
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0074 0.0061
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0039 0.0114 0.8363
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0043 0.0017
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0026 0.1107
Echinococcus granulosus GPCR family 2 0.0016 0.0026 0.0176
Echinococcus multilocularis GPCR, family 2 0.0016 0.0026 0.0176
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0201 0.3217
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0096 0.6434
Loa Loa (eye worm) hypothetical protein 0.0039 0.0114 0.1393
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0037 0.0024
Echinococcus multilocularis transcription factor btf3 0.0035 0.0096 0.1403
Echinococcus granulosus lamin dm0 0.0027 0.0067 0.0892
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0576
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0096 0.1176
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0817
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0047 0.2066
Brugia malayi isocitrate dehydrogenase 0.0016 0.0026 0.016
Onchocerca volvulus 0.0043 0.0129 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0129 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0129 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0074 0.0758
Toxoplasma gondii exonuclease III APE 0.0019 0.0037 0.107
Loa Loa (eye worm) beta-lactamase 0.0043 0.0129 0.1578
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0129 1
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.2702 1 1
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0039 0.0114 0.1564
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0039 0.0114 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0576
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0999 0.0976
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0096 0.6434
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0129 0.0104
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0074 0.0758
Schistosoma mansoni hypothetical protein 0.0168 0.0591 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.0819 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0129 0.0116
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0576
Entamoeba histolytica hypothetical protein 0.0035 0.0096 0.7694
Echinococcus granulosus leucyl tRNA synthetase 0.0039 0.0114 0.1713
Leishmania major hypothetical protein, conserved 0.0043 0.0129 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0067 0.0892
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0026 0.0178
Loa Loa (eye worm) hypothetical protein 0.0029 0.0074 0.0905
Brugia malayi RNA binding protein 0.0063 0.0201 0.2328
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0096 0.7694
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0129 0.1442
Brugia malayi beta-lactamase family protein 0.0043 0.0129 0.1442
Onchocerca volvulus 0.0043 0.0129 1
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0039 0.0114 0.8538
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0576
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0201 0.3096
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0201 0.2328
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.0178
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0039 0.0114 0.0101
Loa Loa (eye worm) hypothetical protein 0.0043 0.0129 0.1578
Mycobacterium tuberculosis Conserved protein 0.0043 0.0129 0.0104
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0576
Plasmodium falciparum cysteine--tRNA ligase 0.0039 0.0114 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0021 0.0255
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0037 0.1253
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0043 0.0017
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0074 0.0061
Brugia malayi follicle stimulating hormone receptor 0.0229 0.0819 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0026 0.0316
Schistosoma mansoni intermediate filament proteins 0.0027 0.0067 0.0728
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0129 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0169
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0201 0.3096
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0039 0.0114 0.1564
Schistosoma mansoni lamin 0.0027 0.0067 0.0728
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0074 0.0061
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0074 0.5256
Echinococcus multilocularis lamin 0.0027 0.0067 0.0892
Schistosoma mansoni hypothetical protein 0.0034 0.0093 0.1191
Brugia malayi intermediate filament protein 0.0027 0.0067 0.0669
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0037 0.0451
Chlamydia trachomatis cysteine--tRNA ligase 0.0039 0.0114 1
Schistosoma mansoni retinoic acid receptor RXR 0.0105 0.0358 0.5882
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0096 0.6816
Brugia malayi beta-lactamase 0.0043 0.0129 0.1442
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0037 0.037
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0129 0.0104
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0096 0.6816
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.0178
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0043 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0201 0.3096
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0047 0.242
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0013 0.0159
Echinococcus granulosus geminin 0.0168 0.0591 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0151 0.1844
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.0178
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0026 0.0002
Plasmodium falciparum cysteine--tRNA ligase 0.0039 0.0114 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0067 0.0669
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0074 0.4815
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0021 0.0098
Echinococcus multilocularis geminin 0.0168 0.0591 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0129 0.1975
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0129 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0129 0.0104
Echinococcus multilocularis musashi 0.0027 0.0067 0.0892
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0026 0.1107
Mycobacterium ulcerans beta-lactamase 0.0043 0.0129 0.0116
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0037 0.107
Echinococcus granulosus cysteinyl tRNA synthetase 0.0039 0.0114 0.1713
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0026 0.1107
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0129 0.0104
Echinococcus granulosus transcription factor btf3 0.0035 0.0096 0.1403
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0129 0.0104
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0129 0.0116
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.2702 1 1
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0096 0.7168
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0151 0.1712
Giardia lamblia Cysteinyl-tRNA synthetase 0.0039 0.0114 1
Onchocerca volvulus 0.0043 0.0129 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0129 0.0104
Onchocerca volvulus 0.0039 0.0114 0.7575
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0026 0.016

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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