Detailed information for compound 810862

Basic information

Technical information
  • TDR Targets ID: 810862
  • Name: 6-nitro-1,1-dioxo-N-propan-2-yl-1,2-benzothia zol-3-amine
  • MW: 269.277 | Formula: C10H11N3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-])C
  • InChi: 1S/C10H11N3O4S/c1-6(2)11-10-8-4-3-7(13(14)15)5-9(8)18(16,17)12-10/h3-6H,1-2H3,(H,11,12)
  • InChiKey: QMAZUDVLWSCNIP-UHFFFAOYSA-N  

Network

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Synonyms

  • N-isopropyl-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
  • (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-isopropyl-amine
  • ZINC05074121
  • BIM-0007295.P001
  • CBMicro_007072

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
Plasmodium vivax dynamin-like protein, putative 0.0045 0.0282 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0279 0.0279
Trypanosoma brucei RNA helicase, putative 0.0151 0.1187 0.1153
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0315 0.0315
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.03
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0279 0.0279
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0199 0.0915
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0051 0.0499
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0199 0.0161
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0446 0.0446
Echinococcus granulosus dynamin 0.0045 0.0282 0.0282
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.03
Mycobacterium ulcerans hypothetical protein 0.0023 0.0101 0.0071
Loa Loa (eye worm) hypothetical protein 0.0023 0.0101 0.0062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0279 0.0279
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0279 0.0242
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0119 0.0081
Schistosoma mansoni hypothetical protein 0.0167 0.1326 0.1326
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.03 0.03
Trichomonas vaginalis protein kinase inhibitor, putative 0.006 0.0418 0.0319
Brugia malayi beta-lactamase family protein 0.0035 0.0199 0.0161
Echinococcus multilocularis poly(ADP ribose) glycohydrolase 0.1187 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.1157 0.1123
Brugia malayi Dynamin 0.0048 0.0312 0.0274
Mycobacterium tuberculosis Conserved protein 0.0035 0.0199 0.0915
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.0529 0.4401 0.4379
Entamoeba histolytica hypothetical protein 0.0529 0.4401 0.4391
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0101 0.0761 0.0761
Echinococcus multilocularis dynamin 1 0.0048 0.0312 0.0312
Schistosoma mansoni dynamin 0.0048 0.0312 0.0312
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative 0.0529 0.4401 0.4391
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0446 0.0446
Brugia malayi TAR-binding protein 0.0064 0.0446 0.0409
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0119 0.0081
Leishmania major hypothetical protein, conserved 0.0035 0.0199 0.6585
Schistosoma mansoni microtubule-associated protein tau 0.0717 0.6007 0.6007
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0199 0.0213
Onchocerca volvulus 0.0048 0.0315 0.1626
Loa Loa (eye worm) hypothetical protein 0.0048 0.0315 0.0277
Brugia malayi DnaJ domain containing protein 0.006 0.0418 0.038
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0043 0.0024
Echinococcus multilocularis dnaJ subfamily C 6 0.006 0.0418 0.0418
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0199 0.0199
Onchocerca volvulus 0.0035 0.0199 0.0748
Loa Loa (eye worm) Poly(ADP-ribose) glycohydrolase 0.1187 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0199 0.0915
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0101 0.2544
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0199 0.0915
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0017 0.0051 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0279 0.0279
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0119 0.3301
Loa Loa (eye worm) hypothetical protein 0.0035 0.0199 0.0161
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0038 0.0038
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0101 0.0071
Brugia malayi RNA binding protein 0.0064 0.0446 0.0409
Brugia malayi hypothetical protein 0.0016 0.0043 0.0004
Mycobacterium tuberculosis Conserved protein 0.0035 0.0199 0.0915
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0199 1
Echinococcus multilocularis tumor protein p63 0.0331 0.2716 0.2716
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0101 0.0071
Entamoeba histolytica dynamin-like protein 0.0045 0.0282 0.0265
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0101 0.0062
Loa Loa (eye worm) hypothetical protein 0.0017 0.0051 0.0012
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0199 0.0915
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0051 0.0069
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.1187 1 1
Brugia malayi N-terminal motif family protein 0.0178 0.1419 0.1386
Echinococcus multilocularis microtubule associated protein 2 0.0717 0.6007 0.6007
Leishmania major hypothetical protein, conserved 0.0025 0.0119 0.3301
Loa Loa (eye worm) beta-lactamase 0.0035 0.0199 0.0161
Echinococcus granulosus dynamin 1 protein 0.0045 0.0282 0.0282
Echinococcus granulosus microtubule associated protein 2 0.0717 0.6007 0.6007
Loa Loa (eye worm) hypothetical protein 0.0047 0.03 0.0263
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0446 0.0446
Mycobacterium ulcerans lipase LipD 0.0035 0.0199 0.0213
Echinococcus granulosus dnaJ subfamily C 6 0.006 0.0418 0.0418
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0199 0.0915
Loa Loa (eye worm) hypothetical protein 0.0025 0.0119 0.0081
Echinococcus granulosus geminin 0.0167 0.1326 0.1326
Trichomonas vaginalis dynamin, putative 0.0045 0.0282 0.0122
Entamoeba histolytica hypothetical protein 0.1187 1 1
Plasmodium falciparum dynamin-like protein 0.0045 0.0282 1
Schistosoma mansoni hypothetical protein 0.0151 0.1187 0.1187
Echinococcus granulosus tumor protein p63 0.0331 0.2716 0.2716
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0446 0.0446
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0446 0.0446
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.1187 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.1157 0.1123
Entamoeba histolytica dynamin-1-like protein, putative 0.0045 0.0282 0.0265
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0101 0.0083
Plasmodium vivax dynamin protein, putative 0.0045 0.0282 1
Schistosoma mansoni dynamin 0.0048 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0035 0.0199 0.0161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0279 0.0279
Echinococcus granulosus polyADP ribose glycohydrolase 0.1187 1 1
Schistosoma mansoni dynamin 0.0045 0.0282 0.0282
Toxoplasma gondii dynamin gtpase 0.0029 0.0153 0.0115
Trichomonas vaginalis glutaminase, putative 0.0838 0.7035 1
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.1187 1 1
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative 0.1187 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0119 0.0081
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0043 0.0024
Loa Loa (eye worm) hypothetical protein 0.0048 0.0312 0.0274
Schistosoma mansoni poly(ADP-ribose) glycohydrolase 0.1187 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0043 0.0024
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0199 0.6585
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0279 0.0279
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0101 0.0071
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0101 0.0071
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.03 0.03
Giardia lamblia Dynamin 0.0045 0.0282 0.5
Trypanosoma brucei dynamin-1-like protein 0.0045 0.0282 0.0245
Brugia malayi glutaminase DH11.1 0.0838 0.7035 0.7023
Schistosoma mansoni hypothetical protein 0.006 0.0418 0.0418
Schistosoma mansoni hypothetical protein 0.0167 0.1326 0.1326
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0045 0.0282 0.0122
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0038 0.0038
Schistosoma mansoni glutaminase 0.0838 0.7035 0.7035
Echinococcus multilocularis dynamin 1 protein 0.0045 0.0282 0.0282
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.1794 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0199 0.0161
Brugia malayi Dynamin central region family protein 0.0045 0.0282 0.0245
Echinococcus granulosus GPCR family 2 0.0047 0.03 0.03
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0051 0.0499
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0101 0.2544
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0101 0.0062
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0199 0.0161
Loa Loa (eye worm) DnaJ domain-containing protein 0.006 0.0418 0.038
Trichomonas vaginalis mgm1, putative 0.0045 0.0282 0.0122
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0017 0.0051 0.0012
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0101 0.0071
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0101 0.0354
Brugia malayi beta-lactamase 0.0035 0.0199 0.0161
Onchocerca volvulus 0.0035 0.0199 0.0748
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.1157 0.1123
Trichomonas vaginalis dynamin, putative 0.0045 0.0282 0.0122
Loa Loa (eye worm) hypothetical protein 0.0035 0.0199 0.0161
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0038 0.0038
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.03 0.0263
Loa Loa (eye worm) RNA binding protein 0.0064 0.0446 0.0409
Toxoplasma gondii ABC1 family protein 0.0035 0.0199 0.0161
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.03 0.03
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0178 0.1419 0.1386
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0279 0.0242
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0101 0.0062
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0101 0.0083
Loa Loa (eye worm) glutaminase 2 0.0838 0.7035 0.7023
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0199 0.0213
Toxoplasma gondii dynamin-related protein DRPA 0.0045 0.0282 0.0245
Mycobacterium tuberculosis Conserved protein 0.0035 0.0199 0.0915
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0023 0.0101 0.0062
Loa Loa (eye worm) glutaminase 0.0838 0.7035 0.7023
Loa Loa (eye worm) hypothetical protein 0.0035 0.0199 0.0161
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0101 0.2544
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0119 0.0081
Loa Loa (eye worm) hypothetical protein 0.0101 0.0761 0.0725
Leishmania major GTP-binding protein, putative 0.0045 0.0282 1
Trichomonas vaginalis dynamin, putative 0.0045 0.0282 0.0122
Echinococcus multilocularis GPCR, family 2 0.0047 0.03 0.03
Echinococcus multilocularis geminin 0.0167 0.1326 0.1326
Mycobacterium leprae Probable lipase LipE 0.0035 0.0199 1
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.03
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0035 0.0199 0.0161
Trichomonas vaginalis dynamin, putative 0.0045 0.0282 0.0122
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0446 0.0409
Brugia malayi Dynamin 0.0048 0.0312 0.0274
Loa Loa (eye worm) hypothetical protein 0.0023 0.0101 0.0062
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0017 0.0051 0.0012
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.6654 0.6654
Plasmodium falciparum dynamin-like protein 0.0045 0.0282 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0051 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0043 0.0024
Loa Loa (eye worm) DRP-1 protein 0.0045 0.0282 0.0245
Trypanosoma brucei poly(ADP-ribose) glycohydrolase, putative 0.1187 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0101 0.0354
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0446 0.0409
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0199 0.0161
Toxoplasma gondii dynamin-related protein DRPB 0.0045 0.0282 0.0245
Brugia malayi Latrophilin receptor protein 2 0.0047 0.03 0.0263
Trypanosoma brucei dynamin-1-like protein 0.0045 0.0282 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0199 0.0161
Brugia malayi beta-lactamase family protein 0.0035 0.0199 0.0161
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.03
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0101 0.0071
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0761 0.0725
Mycobacterium ulcerans beta-lactamase 0.0035 0.0199 0.0213
Echinococcus granulosus dynamin 1 0.0048 0.0312 0.0312
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0199 0.0915
Onchocerca volvulus 0.0035 0.0199 0.0748
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0038 0.0038
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.03 0.0263
Trichomonas vaginalis dynamin, putative 0.0045 0.0282 0.0122
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0101 0.0083
Mycobacterium ulcerans hypothetical protein 0.0035 0.0199 0.0213
Trypanosoma cruzi dynamin-1-like protein 0.0045 0.0282 0.0245
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0119 0.3301
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0199 0.0915
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.1157 0.1123
Echinococcus multilocularis dynamin 0.0045 0.0282 0.0282
Echinococcus granulosus tar DNA binding protein 0.0064 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0035 0.0199 0.0161
Mycobacterium ulcerans glutaminase 0.0838 0.7035 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0101 0.0071
Trichomonas vaginalis dynamin, putative 0.0045 0.0282 0.0122
Loa Loa (eye worm) hypothetical protein 0.0017 0.0051 0.0012
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0119 0.3301
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.1419 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0446 0.0409
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0199 0.0199
Brugia malayi hypothetical protein 0.0025 0.0119 0.0081
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.03 0.03

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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