Detailed information for compound 666873

Basic information

Technical information
  • TDR Targets ID: 666873
  • Name: 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N- (2-nitrophenyl)benzamide
  • MW: 459.903 | Formula: C21H18ClN3O5S
  • H donors: 2 H acceptors: 5 LogP: 5.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1S(=O)(=O)Nc1ccc(c(c1)C)C)C(=O)Nc1ccccc1[N+](=O)[O-]
  • InChi: 1S/C21H18ClN3O5S/c1-13-7-9-16(11-14(13)2)24-31(29,30)20-12-15(8-10-17(20)22)21(26)23-18-5-3-4-6-19(18)25(27)28/h3-12,24H,1-2H3,(H,23,26)
  • InChiKey: YNHAPUOUZOLUKT-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0308 0.8513 1
Plasmodium falciparum glutathione reductase 0.0093 0.2291 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.3732 0.3707
Plasmodium vivax thioredoxin reductase, putative 0.0093 0.2291 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0357 0.0419
Echinococcus multilocularis lamin 0.0027 0.0357 0.032
Schistosoma mansoni ap endonuclease 0.0021 0.0185 0.0147
Giardia lamblia PHD finger protein 15 0.0028 0.0414 0.0975
Echinococcus multilocularis musashi 0.0027 0.0357 0.032
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.0525 0.1954
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0357 0.0419
Schistosoma mansoni lamin 0.0027 0.0357 0.032
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.3732 0.3707
Loa Loa (eye worm) thioredoxin reductase 0.0093 0.2291 0.2691
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0.0525 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.2292 0.2262
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0032 0.0525 0.2158
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0101 0.2526 0.2967
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0357 0.0419
Treponema pallidum NADH oxidase 0.0032 0.0525 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0737 0.0701
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.1471 0.1728
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0414 0.0376
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0032 0.0525 0.1954
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0101 0.2526 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.3732 0.4383
Echinococcus multilocularis thioredoxin glutathione reductase 0.0094 0.2307 0.2277
Schistosoma mansoni hypothetical protein 0.0359 1 1
Mycobacterium ulcerans glutaminase 0.0264 0.7249 1
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0678 0.0642
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.2292 0.2262
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.1471 0.1728
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.0525 0.1954
Entamoeba histolytica hypothetical protein 0.0072 0.1682 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.1471 0.1438
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.3732 0.3707
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0032 0.0525 0.2158
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0093 0.2291 0.3518
Loa Loa (eye worm) hypothetical protein 0.0097 0.2412 0.2833
Echinococcus granulosus mitogen activated protein kinase 0.0101 0.2526 0.2497
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0032 0.0525 0.048
Brugia malayi Bromodomain containing protein 0.0028 0.0414 0.0486
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0039 0.0045
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0414 0.0376
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.3732 0.3707
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0276 0.0324
Loa Loa (eye worm) hypothetical protein 0.0049 0.1003 0.1179
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3067 0.3603
Plasmodium falciparum glutathione reductase 0.0032 0.0525 0.2158
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0032 0.0525 0.0759
Entamoeba histolytica hypothetical protein 0.0072 0.1682 1
Plasmodium falciparum thioredoxin reductase 0.0093 0.2291 1
Plasmodium vivax glutathione reductase, putative 0.0093 0.2291 1
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.2526 0.3314
Brugia malayi jmjC domain containing protein 0.0034 0.0587 0.069
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0032 0.0525 0.048
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.2412 0.2383
Brugia malayi Thioredoxin reductase 0.0093 0.2291 0.2691
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.1471 0.5757
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1293 0.1518
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0101 0.2526 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0185 0.0147
Schistosoma mansoni ap endonuclease 0.0021 0.0185 0.0147
Leishmania major trypanothione reductase 0.0093 0.2291 0.9054
Mycobacterium tuberculosis Probable oxidoreductase 0.0236 0.6442 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.2412 0.2383
Mycobacterium tuberculosis Probable reductase 0.0213 0.5754 0.8925
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1471 0.5757
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0525 0.1954
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.1471 0.8587
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0032 0.0525 0.1954
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.3732 0.3707
Giardia lamblia Kinase, CMGC MAPK 0.0101 0.2526 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0525 0.1954
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0185 0.0147
Loa Loa (eye worm) hypothetical protein 0.0028 0.0414 0.0486
Schistosoma mansoni hypothetical protein 0.0072 0.1682 0.165
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.2526 0.3314
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0587 0.069
Trypanosoma brucei protein kinase, putative 0.0101 0.2526 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0039 0.0045
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1736 0.1704
Echinococcus multilocularis lamin dm0 0.0027 0.0357 0.032
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0101 0.2526 1
Brugia malayi Latrophilin receptor protein 2 0.0097 0.2412 0.2833
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.0525 0.1954
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0357 0.0419
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0032 0.0525 0.048
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0525 1
Brugia malayi glutaminase DH11.1 0.0264 0.7249 0.8515
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0525 0.1954
Echinococcus granulosus lamin dm0 0.0027 0.0357 0.032
Schistosoma mansoni hypothetical protein 0.0097 0.2412 0.2383
Echinococcus multilocularis mitogen activated protein kinase 3 0.0101 0.2526 0.2497
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.1682 0.165
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0185 0.059
Schistosoma mansoni hypothetical protein 0.0097 0.2412 0.2383
Schistosoma mansoni hypothetical protein 0.0097 0.2412 0.2383
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0185 0.0218
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0185 0.059
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0185 0.0218
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0525 0.0616
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0032 0.0525 0.1954
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.0525 0.0488
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.3732 0.4383
Echinococcus granulosus peregrin 0.0028 0.0414 0.0376
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0587 0.0551
Trypanosoma cruzi trypanothione reductase, putative 0.0093 0.2291 0.9054
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1471 0.5757
Brugia malayi isocitrate dehydrogenase 0.0016 0.0039 0.0045
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1471 0.5757
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.2526 0.3314
Loa Loa (eye worm) glutaminase 0.0264 0.7249 0.8515
Onchocerca volvulus Alhambra homolog 0.0028 0.0414 1
Brugia malayi PHD-finger family protein 0.0028 0.0414 0.0486
Echinococcus granulosus intermediate filament protein 0.0027 0.0357 0.032
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0213 0.5754 0.8925
Schistosoma mansoni intermediate filament proteins 0.0027 0.0357 0.032
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0101 0.2526 1
Echinococcus multilocularis peregrin 0.0028 0.0414 0.0376
Brugia malayi hypothetical protein 0.0072 0.1682 0.1976
Schistosoma mansoni lamin 0.0027 0.0357 0.032
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0236 0.6442 1
Echinococcus multilocularis mitogen activated protein kinase 0.0101 0.2526 0.2497
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0308 0.8513 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3067 0.3603
Schistosoma mansoni hypothetical protein 0.021 0.5689 0.5673
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.2412 0.2833
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0414 0.1665
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.2412 0.2383
Brugia malayi Calcitonin receptor-like protein seb-1 0.0308 0.8513 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.3732 0.3707
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0525 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0185 0.059
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0185 0.059
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0525 0.048
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0101 0.2526 1
Toxoplasma gondii thioredoxin reductase 0.0093 0.2291 0.9054
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0185 0.0651
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0737 0.0701
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0276 0.0324
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0414 0.1507
Schistosoma mansoni glutaminase 0.0264 0.7249 0.7238
Loa Loa (eye worm) hypothetical protein 0.0026 0.0343 0.0403
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.1471 0.1438
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0414 0.0376
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.3732 0.3707
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.1682 0.165
Schistosoma mansoni hypothetical protein 0.0097 0.2412 0.2383
Plasmodium falciparum thioredoxin reductase 0.0032 0.0525 0.2158
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.2526 0.2497
Brugia malayi MH2 domain containing protein 0.012 0.3067 0.3603
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0032 0.0525 0.2158
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0213 0.5754 0.8925
Toxoplasma gondii NADPH-glutathione reductase 0.0032 0.0525 0.1954
Echinococcus multilocularis geminin 0.0359 1 1
Schistosoma mansoni hypothetical protein 0.0028 0.0414 0.0376
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0587 0.0551
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Echinococcus granulosus lamin 0.0027 0.0357 0.032
Entamoeba histolytica hypothetical protein 0.0072 0.1682 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.8513 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0101 0.2526 1
Loa Loa (eye worm) glutathione reductase 0.0093 0.2291 0.2691
Echinococcus granulosus GPCR family 2 0.0097 0.2412 0.2383
Plasmodium falciparum phd finger protein, putative 0.0028 0.0414 0.1665
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0414 0.1507
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.2526 0.3314
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0525 0.048
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.1471 0.1438
Echinococcus granulosus thioredoxin glutathione reductase 0.0094 0.2307 0.2277
Brugia malayi intermediate filament protein 0.0027 0.0357 0.0419
Brugia malayi glutathione reductase 0.0093 0.2291 0.2691
Entamoeba histolytica hypothetical protein 0.0072 0.1682 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Loa Loa (eye worm) hypothetical protein 0.021 0.5689 0.6683
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0213 0.5754 0.8925
Trypanosoma brucei trypanothione reductase 0.0093 0.2291 0.9054
Giardia lamblia NADH oxidase lateral transfer candidate 0.0032 0.0525 0.145
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0185 0.059
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0185 0.0651
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0236 0.6442 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0525 0.1954
Echinococcus multilocularis GPCR, family 2 0.0097 0.2412 0.2383
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0525 0.1954
Loa Loa (eye worm) glutaminase 2 0.0264 0.7249 0.8515
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.2412 0.2833
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0525 0.0488
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.2412 0.2383
Echinococcus granulosus mitogen activated protein kinase 3 0.0101 0.2526 0.2497
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.0525 0.0488
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0032 0.0525 0.2158
Brugia malayi latrophilin 2 splice variant baaae 0.021 0.5689 0.6683
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0213 0.5754 0.8925
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0185 0.0229
Schistosoma mansoni hypothetical protein 0.0359 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0587 0.0551
Trichomonas vaginalis glutaminase, putative 0.0264 0.7249 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0213 0.5754 0.8925
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.1682 0.165
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0414 0.0486
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0587 0.0551
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0678 0.0642
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0236 0.6442 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0101 0.2526 1
Brugia malayi MAP kinase sur-1 0.0101 0.2526 0.2967
Brugia malayi jmjC domain containing protein 0.0093 0.2292 0.2692
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0101 0.2526 1

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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