Detailed information for compound 579187

Basic information

Technical information
  • TDR Targets ID: 579187
  • Name: N'-(benzenesulfonamido)-2,2,2-trifluoro-aceta midine
  • MW: 267.228 | Formula: C8H8F3N3O2S
  • H donors: 2 H acceptors: 2 LogP: 1.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NNS(=O)(=O)c1ccccc1)C(F)(F)F
  • InChi: 1S/C8H8F3N3O2S/c9-8(10,11)7(12)13-14-17(15,16)6-4-2-1-3-5-6/h1-5,14H,(H2,12,13)
  • InChiKey: VYYBGPDFMAIJFS-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(benzenesulfonamido)-2,2,2-trifluoroacetamidine
  • 2,2,2-trifluoro-N'-(phenylsulfonylamino)ethanimidamide
  • N'-(benzenesulfonamido)-2,2,2-trifluoroethanimidamide

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
Toxoplasma gondii thioredoxin reductase 0.0079 0.1527 0.6279
Brugia malayi hypothetical protein 0.0021 0.0154 0.015
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.02 0.44 1
Brugia malayi CXXC zinc finger family protein 0.0058 0.1043 0.1139
Onchocerca volvulus 0.0058 0.1043 0.2967
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0085 0.0085
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0154 0.0154
Trypanosoma brucei trypanothione reductase 0.0079 0.1527 0.1459
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.1191 0.1077
Trypanosoma brucei Emopamil binding protein, putative 0.0147 0.3152 0.3313
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0709 0.0768
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0019
Trichomonas vaginalis mercuric reductase, putative 0.0027 0.0304 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0906 0.0986
Loa Loa (eye worm) voltage-dependent calcium channel 0.0082 0.1614 0.1773
Leishmania major trypanothione reductase 0.0079 0.1527 0.1459
Mycobacterium tuberculosis Probable dehydrogenase 0.018 0.3924 0.8853
Onchocerca volvulus 0.0053 0.0906 0.2508
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.1204 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0027 0.0304 0.0596
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0154 0.0154
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0027 0.0304 0.1092
Loa Loa (eye worm) hypothetical protein 0.0394 0.9017 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0709 0.0709
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0709 0.0709
Schistosoma mansoni lipoxygenase 0.0088 0.174 0.174
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.1758 0.1758
Echinococcus multilocularis protein phosphatase 1b 0.0087 0.1727 0.1727
Echinococcus granulosus protein phosphatase 1b 0.0087 0.1727 0.1727
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0804 0.0873
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0393 0.9011 0.9011
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0027 0.0304 0.0317
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0027 0.0304 0.0304
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0147 0.3152 0.3313
Echinococcus granulosus voltage dependent calcium channel 0.0393 0.9011 0.9011
Loa Loa (eye worm) hypothetical protein 0.0082 0.1614 0.1773
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0147 0.3152 0.3269
Schistosoma mansoni protein phosphatase 2C 0.0087 0.1727 0.1727
Schistosoma mansoni voltage-gated cation channel 0.0393 0.9011 0.9011
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0027 0.0304 0.0304
Loa Loa (eye worm) calcium channel 0.0393 0.9011 0.9993
Trypanosoma cruzi Emopamil binding protein, putative 0.0147 0.3152 0.3269
Echinococcus granulosus voltage dependent calcium channel 0.0082 0.1614 0.1614
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.018 0.3924 0.8853
Echinococcus multilocularis dnaJ subfamily B 0.0435 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0027 0.0304 0.0065
Loa Loa (eye worm) hypothetical protein 0.0088 0.1758 0.1933
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0709 0.0709
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0147 0.3152 0.3269
Trypanosoma cruzi trypanothione reductase, putative 0.0079 0.1527 0.1403
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0393 0.9011 0.9993
Loa Loa (eye worm) hypothetical protein 0.0072 0.1378 0.151
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0304 0.0065
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0393 0.9011 0.9011
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0304 0.0065
Loa Loa (eye worm) hypothetical protein 0.0201 0.444 0.4914
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0393 0.9011 0.9011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0033 0.0441 0.0469
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.002 0.0132 0.0125
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0019
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0065 0.1204 0.1091
Echinococcus multilocularis tumor protein p63 0.0359 0.8201 0.8201
Schistosoma mansoni loxhd1 0.0021 0.0154 0.0154
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0027 0.0304 0.0137
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0027 0.0304 0.1092
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0125 0.2638 0.2638
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0154 0.0154
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0804 0.0873
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0247 0.0676
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.1043 0.1139
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0019 0.0019
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0027 0.0304 0.028
Schistosoma mansoni cpg binding protein 0.0058 0.1043 0.1043
Echinococcus multilocularis GPCR, family 2 0.0015 0.0019 0.0019
Loa Loa (eye worm) protein phosphatase 2C containing protein 0.0087 0.1727 0.1898
Treponema pallidum NADH oxidase 0.0027 0.0304 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0394 0.9017 1
Schistosoma mansoni hypothetical protein 0.0435 1 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0393 0.9011 0.9011
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0393 0.9011 0.9011
Toxoplasma gondii NADPH-glutathione reductase 0.0027 0.0304 0.028
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0393 0.9011 0.9011
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.1204 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.1008 0.11
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0709 0.0768
Brugia malayi Protein phosphatase 2C containing protein 0.0087 0.1727 0.1898
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1191 0.1191
Loa Loa (eye worm) hypothetical protein 0.0021 0.0154 0.015
Echinococcus multilocularis protein phosphatase 1b 0.0076 0.1464 0.1464
Leishmania major C-8 sterol isomerase-like protein 0.0394 0.9017 1
Leishmania major hypothetical protein, conserved 0.0147 0.3152 0.3313
Mycobacterium tuberculosis Putative ferredoxin reductase 0.018 0.3924 0.8853
Onchocerca volvulus 0.0147 0.3152 1
Echinococcus granulosus tumor protein p63 0.0359 0.8201 0.8201
Schistosoma mansoni protein phosphatase 2C 0.0076 0.1464 0.1464
Mycobacterium tuberculosis Probable reductase 0.018 0.3924 0.8853
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0394 0.9017 1
Echinococcus granulosus protein phosphatase 1b 0.0076 0.1464 0.1464
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0247 0.0676
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.02 0.44 1
Trichomonas vaginalis glutathione reductase, putative 0.0027 0.0304 0.5
Onchocerca volvulus 0.0088 0.1758 0.535
Schistosoma mansoni rab6-interacting 0.0021 0.0154 0.0154
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0154 0.015
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0019
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0027 0.0304 0.0065
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.1191 0.1191
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.1758 0.1758
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0027 0.0304 0.1092
Schistosoma mansoni hypothetical protein 0.0021 0.0154 0.0154
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0154 0.0154
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0019
Loa Loa (eye worm) glutathione reductase 0.0079 0.1527 0.1676
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0804 0.0873
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1191 0.1191
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0239 0.5347 0.5788
Echinococcus multilocularis voltage dependent calcium channel 0.0393 0.9011 0.9011
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.1204 0.1204
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.02 0.44 1
Schistosoma mansoni cpg binding protein 0.0062 0.1123 0.1123
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.1758 0.1933
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0393 0.9011 0.9011
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0065 0.1204 0.2304
Schistosoma mansoni protein phosphatase 2C 0.0076 0.1464 0.1464
Loa Loa (eye worm) thioredoxin reductase 0.0079 0.1527 0.1676
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0085 0.0073
Brugia malayi Doublecortin family protein 0.0021 0.0154 0.015
Plasmodium vivax thioredoxin reductase, putative 0.0079 0.1527 1
Echinococcus granulosus cpg binding protein 0.0062 0.1123 0.1123
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.1191 0.2273
Echinococcus multilocularis sodium channel protein 0.0167 0.3624 0.3624
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0027 0.0304 0.0065
Echinococcus multilocularis RUN 0.0021 0.0154 0.0154
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0709 0.0709
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0393 0.9011 0.9011
Loa Loa (eye worm) hypothetical protein 0.0021 0.0154 0.015
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0027 0.0304 0.1092
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0906 0.0906
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.1191 0.1191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0709 0.0709
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0393 0.9011 0.9011
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0085 0.0085
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0154 0.0154
Schistosoma mansoni cpg binding protein 0.0062 0.1123 0.1123
Giardia lamblia NADH oxidase lateral transfer candidate 0.0027 0.0304 0.5
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0239 0.5347 0.5815
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0304 0.0065
Plasmodium falciparum thioredoxin reductase 0.0079 0.1527 1
Plasmodium vivax glutathione reductase, putative 0.0079 0.1527 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0124 0.26 0.26
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.1191 0.4632
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.018 0.3924 0.8853
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0027 0.0304 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0804 0.0873
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0027 0.0304 0.0304
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0027 0.0304 0.0596
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0167 0.3624 0.3624
Schistosoma mansoni polycystin 1-related 0.0021 0.0154 0.0154
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0079 0.1527 0.3081
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0027 0.0304 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1378 0.151
Plasmodium falciparum glutathione reductase 0.0027 0.0304 0.1092
Brugia malayi glutathione reductase 0.0079 0.1527 0.1676
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1191 0.9866
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0027 0.0304 0.0065
Schistosoma mansoni rab6-interacting 0.0021 0.0154 0.0154
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0125 0.2638 0.2638
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0394 0.9017 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0065 0.1204 0.1204
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.1204 0.1204
Echinococcus granulosus GPCR family 2 0.0015 0.0019 0.0019
Echinococcus multilocularis voltage dependent calcium channel 0.0393 0.9011 0.9011
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0019 0.0019
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0079 0.0067
Trypanosoma cruzi Emopamil binding protein, putative 0.0147 0.3152 0.3269
Echinococcus granulosus thioredoxin glutathione reductase 0.008 0.1552 0.1552
Toxoplasma gondii histone lysine methyltransferase SET1 0.0111 0.2285 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1204 0.1317
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0441 0.0469
Brugia malayi Thioredoxin reductase 0.0079 0.1527 0.1676
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0027 0.0304 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.018 0.3924 0.8853
Echinococcus multilocularis thioredoxin glutathione reductase 0.008 0.1552 0.1552
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0154 0.0154
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0304 0.0065
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.1758 0.1758
Entamoeba histolytica hypothetical protein 0.0025 0.0247 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.02 0.44 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0019 0.0019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1191 0.9866
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.002 0.0132 0.0125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0709 0.0709
Loa Loa (eye worm) hypothetical protein 0.0393 0.9011 0.9993
Echinococcus multilocularis cpg binding protein 0.0062 0.1123 0.1123
Schistosoma mansoni lipoxygenase 0.0125 0.2638 0.2638
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.018 0.3924 0.8853
Plasmodium falciparum thioredoxin reductase 0.0027 0.0304 0.1092
Brugia malayi hypothetical protein 0.0021 0.0154 0.015
Toxoplasma gondii hypothetical protein 0.0072 0.1378 0.5549
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0027 0.0304 0.0596
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1191 0.9866
Echinococcus granulosus RUN 0.0021 0.0154 0.0154
Plasmodium falciparum glutathione reductase 0.0079 0.1527 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0709 0.0709
Schistosoma mansoni hypothetical protein 0.0033 0.0441 0.0441
Toxoplasma gondii transporter, cation channel family protein 0.0082 0.1614 0.6708

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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