Detailed information for compound 136369

Basic information

Technical information
  • TDR Targets ID: 136369
  • Name: 2,2-dichloro-N-(2-chlorophenyl)acetamide
  • MW: 238.498 | Formula: C8H6Cl3NO
  • H donors: 1 H acceptors: 1 LogP: 3.07 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Cl)Cl)Nc1ccccc1Cl
  • InChi: 1S/C8H6Cl3NO/c9-5-3-1-2-4-6(5)12-8(13)7(10)11/h1-4,7H,(H,12,13)
  • InChiKey: JCHZWDQCXBFGAB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,2-dichloro-N-(2-chlorophenyl)ethanamide

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 falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0065 0.0689 1
Echinococcus granulosus steroid dehydrogenase 0.0014 0.0058 0.0058
Schistosoma mansoni folylpolyglutamate synthase 0.0065 0.0689 0.0689
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0014 0.0058 0.0752
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0058 0.0849
Onchocerca volvulus 0.0014 0.0058 0.0849
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0025 0.0194 0.0201
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0014 0.0058 0.0086
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0778 0.0778
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0025 0.0194 0.0285
Brugia malayi oxidoreductase 0.0014 0.0058 0.0174
Brugia malayi CXXC zinc finger family protein 0.0034 0.031 0.0923
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Echinococcus multilocularis retinol dehydrogenase 13 0.0014 0.0058 0.0058
Entamoeba histolytica hypothetical protein 0.0014 0.0058 0.0683
Echinococcus granulosus survival motor neuron protein 1 0.0283 0.3353 0.3353
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0014 0.0058 0.0086
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0065 0.0689 0.0689
Onchocerca volvulus 0.0014 0.0058 0.0849
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0065 0.0689 0.0689
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0045 0.044 1
Echinococcus granulosus carbonyl reductase 1 0.0014 0.0058 0.0058
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl pentapeptide synthase 0.0278 0.3292 0.4785
Mycobacterium leprae putative cytochrome p450 0.0025 0.0194 0.0201
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0444 0.1325
Mycobacterium tuberculosis Probable oxidoreductase 0.0014 0.0058 0.0086
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0014 0.0058 0.0683
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.0058 0.0683
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0025 0.0194 0.1195
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0025 0.0194 0.0285
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.0058 0.0683
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.0278 0.3292 0.4829
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0079 0.0856 0.0856
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0025 0.0194 0.0285
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0014 0.0058 0.0683
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0025 0.0194 0.0285
Giardia lamblia Short-chain dehydrogenase, putative 0.0014 0.0058 0.133
Trichomonas vaginalis steroid dehydrogenase, putative 0.0014 0.0058 0.0849
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0079 0.0856 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0025 0.0194 0.0201
Echinococcus granulosus carbonyl reductase 1 0.0014 0.0058 0.0058
Echinococcus multilocularis microtubule associated protein 2 0.0826 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Leishmania major hypothetical protein, conserved 0.0014 0.0058 0.036
Echinococcus granulosus cpg binding protein 0.0036 0.0334 0.0334
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0014 0.0058 0.0086
Brugia malayi Dehydrogenases, short chain protein 30 0.0014 0.0058 0.0174
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0014 0.0058 0.0683
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0444 0.1325
Echinococcus multilocularis steroid dehydrogenase 0.0014 0.0058 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0025 0.0194 0.0285
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0014 0.0058 0.0086
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0014 0.0058 0.0086
Chlamydia trachomatis UDP-N-acetylmuramoylalanine--D-glutamate ligase 0.045 0.5401 0.6868
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0019 0.0019
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0014 0.0058 0.0086
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0014 0.0058 0.0058
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0014 0.0058 0.0683
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0025 0.0194 0.2271
Mycobacterium leprae Probable UDP-N-acetylmuramate-alanine ligase MurC 0.019 0.2215 0.3191
Brugia malayi FolC bifunctional protein 0.0065 0.0689 0.2054
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0045 0.044 0.6387
Leishmania major hypothetical protein, conserved 0.0014 0.0058 0.036
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Chlamydia trachomatis UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminoligase 0.0278 0.3292 0.2196
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0014 0.0058 0.0086
Brugia malayi Retinol dehydrogenase 12 0.0014 0.0058 0.0174
Schistosoma mansoni cpg binding protein 0.0036 0.0334 0.0334
Echinococcus multilocularis steroid dehydrogenase 0.0014 0.0058 0.0058
Plasmodium vivax steroid dehydrogenase, putative 0.0014 0.0058 0.0849
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0014 0.0058 0.0086
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0045 0.044 0.5139
Mycobacterium tuberculosis Probable UDP-N-acetylmuramate-alanine ligase MurC 0.019 0.2215 0.325
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Onchocerca volvulus 0.0058 0.0595 0.8646
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0045 0.044 0.1312
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0045 0.044 0.6387
Trypanosoma brucei short-chain dehydrogenase, putative 0.0014 0.0058 0.0683
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Mycobacterium leprae Conserved hypothetical protein 0.0025 0.0194 0.0201
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0014 0.0058 0.0174
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0778 0.1065
Onchocerca volvulus 0.0014 0.0058 0.0849
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0025 0.0194 0.0285
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0025 0.0194 0.0201
Echinococcus multilocularis retinol dehydrogenase 11 0.0014 0.0058 0.0058
Loa Loa (eye worm) dehydrogenase 0.0014 0.0058 0.0174
Mycobacterium tuberculosis Probable oxidoreductase 0.0014 0.0058 0.0086
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Brugia malayi exodeoxyribonuclease III family protein 0.0045 0.044 0.1312
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Leishmania major short chain dehydrogenase-like protein 0.0014 0.0058 0.036
Onchocerca volvulus 0.0034 0.031 0.4495
Entamoeba histolytica short chain dehydrogenase family protein 0.0014 0.0058 0.0683
Echinococcus multilocularis carbonyl reductase 1 0.0014 0.0058 0.0058
Schistosoma mansoni microtubule-associated protein tau 0.0826 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0014 0.0058 0.0683
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0025 0.0194 0.0201
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0142 0.1626 0.485
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0595 0.1776
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0025 0.0194 0.0201
Schistosoma mansoni cpg binding protein 0.0036 0.0334 0.0334
Echinococcus granulosus retinol dehydrogenase 11 0.0014 0.0058 0.0058
Loa Loa (eye worm) cytochrome P450 family protein 0.0092 0.1018 0.3037
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0142 0.1626 0.1626
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0014 0.0058 0.0683
Toxoplasma gondii oxidoreductase, putative 0.0014 0.0058 0.0752
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0058 0.0683
Leishmania major dehydrogenase-like protein 0.0014 0.0058 0.036
Leishmania major hypothetical protein, conserved 0.0014 0.0058 0.036
Leishmania major quinonoid dihydropteridine reductase 0.0014 0.0058 0.036
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0778 0.4786
Mycobacterium ulcerans UDP-N-acetylmuramyl tripeptide synthase 0.0065 0.0689 0.0933
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase 0.0278 0.3292 0.4785
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0014 0.0058 0.0086
Echinococcus multilocularis retinol dehydrogenase 11 0.0014 0.0058 0.0058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0778 0.1065
Leishmania major cytochrome p450-like protein 0.0025 0.0194 0.1195
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0079 0.0856 1
Brugia malayi Cytochrome P450 family protein 0.0092 0.1018 0.3037
Onchocerca volvulus 0.0014 0.0058 0.0849
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0045 0.044 0.2704
Echinococcus multilocularis oxidoreductase 0.0014 0.0058 0.0058
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Chlamydia trachomatis UDP-N-acetylenolpyruvoylglucosamine reductase 0.0566 0.6816 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0045 0.044 0.0645
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0142 0.1626 0.232
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0045 0.044 0.5139
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0025 0.0194 0.0201
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0025 0.0194 0.0285
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0019 0.0019
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0014 0.0058 0.0086
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0025 0.0194 0.0201
Onchocerca volvulus 0.0014 0.0058 0.0849
Schistosoma mansoni hypothetical protein 0.0058 0.0595 0.0595
Mycobacterium tuberculosis Probable oxidoreductase 0.0014 0.0058 0.0086
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0025 0.0194 0.0201
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0014 0.0058 0.0683
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF) 0.0278 0.3292 0.4829
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0778 0.0778
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0014 0.0058 0.0752
Onchocerca volvulus 0.0014 0.0058 0.0849
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0014 0.0058 0.0086
Echinococcus granulosus dnaJ subfamily B 0.049 0.5882 0.5882
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0778 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0025 0.0194 0.0285
Brugia malayi hypothetical protein 0.0283 0.3353 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0142 0.1626 0.2386
Echinococcus granulosus oxidoreductase 0.0014 0.0058 0.0058
Leishmania major short chain dehydrogenase/reductase, putative 0.0014 0.0058 0.036
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0079 0.0856 0.0856
Echinococcus multilocularis transient receptor potential cation channel 0.0014 0.0058 0.0058
Onchocerca volvulus 0.0014 0.0058 0.0849
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0058 0.0683
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0025 0.0194 0.0285
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0025 0.0194 0.0285
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0014 0.0058 0.0086
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0014 0.0058 0.0086
Loa Loa (eye worm) FolC protein 0.0065 0.0689 0.2054
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl tripeptide synthase 0.0197 0.23 0.3317
Giardia lamblia Reductase, putative 0.0014 0.0058 0.133
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Trypanosoma brucei short-chain dehydrogenase, putative 0.0014 0.0058 0.0683
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0686 0.8813
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Echinococcus granulosus carbonyl reductase 1 0.0014 0.0058 0.0058
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0778 0.1142
Trypanosoma brucei short-chain dehydrogenase, putative 0.0014 0.0058 0.0683
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0019 0.0056
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Mycobacterium tuberculosis Probable oxidoreductase 0.0014 0.0058 0.0086
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0014 0.0058 0.0174
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0014 0.0058 0.0058
Echinococcus granulosus hypothetical protein 0.0014 0.0058 0.0058
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0778 0.0778
Treponema pallidum UDP-N-acetylenolpyruvoylglucosamine reductase 0.0566 0.6816 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0025 0.0194 0.0201
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramoylalanine-D-glutamate ligase 0.0319 0.379 0.5523
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0025 0.0194 0.0201
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0025 0.0194 0.0201
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0014 0.0058 0.0849
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0025 0.0194 0.0201
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0781 0.0781
Brugia malayi hypothetical protein 0.0014 0.0058 0.0174
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0778 0.1065
Onchocerca volvulus 0.0014 0.0058 0.0849
Toxoplasma gondii exonuclease III APE 0.0045 0.044 0.5651
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0014 0.0058 0.0683
Schistosoma mansoni hypothetical protein 0.0025 0.0194 0.0194
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0025 0.0194 0.0201
Leishmania major folylpolyglutamate synthetase 0.0065 0.0689 0.4234
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0142 0.1626 1
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0014 0.0058 0.0058
Schistosoma mansoni ap endonuclease 0.0045 0.044 0.044
Loa Loa (eye worm) dehydrogenase 0.0014 0.0058 0.0174
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0065 0.0689 0.8046
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0079 0.0856 1
Trypanosoma brucei cytochrome P450, putative 0.0045 0.0444 0.5192
Brugia malayi dehydrogenases, short chain protein 9 0.0014 0.0058 0.0174
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0045 0.044 0.5139
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0014 0.0058 0.0849
Brugia malayi Cytochrome P450 family protein 0.0045 0.0444 0.1325
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0025 0.0194 0.0285
Mycobacterium ulcerans UDP-N-acetylenolpyruvoylglucosamine reductase 0.0566 0.6816 1
Chlamydia trachomatis bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase 0.0468 0.5618 0.7347
Brugia malayi Cytochrome P450 family protein 0.0025 0.0194 0.058
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Schistosoma mansoni cytochrome P450 0.0025 0.0194 0.0194
Echinococcus multilocularis 0.0025 0.0194 0.0194
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0752
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0025 0.0194 0.0285
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0014 0.0058 0.0058
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0014 0.0058 0.0752
Echinococcus multilocularis survival motor neuron protein 1 0.0283 0.3353 0.3353
Mycobacterium leprae ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.0278 0.3292 0.4785
Echinococcus granulosus carbonyl reductase 1 0.0014 0.0058 0.0058
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0014 0.0058 0.0683
Loa Loa (eye worm) hypothetical protein 0.0283 0.3353 1
Leishmania major quinonoid dihydropteridine reductase 0.0014 0.0058 0.036
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0014 0.0058 0.0683
Giardia lamblia Hypothetical protein 0.0014 0.0058 0.133
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0025 0.0194 0.2271
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0197 0.23 0.3374
Trypanosoma cruzi short chain dehydrogenase, putative 0.0014 0.0058 0.0683
Leishmania major pteridine reductase 1 0.0014 0.0058 0.036
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0025 0.0194 0.0285
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0079 0.0856 0.0856
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0778 0.0778
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Entamoeba histolytica short chain dehydrogenase family protein 0.0014 0.0058 0.0683
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0014 0.0058 0.0683
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0277 0.3282 0.9788
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0025 0.0194 0.2271
Leishmania major short chain dehydrogenase, putative 0.0014 0.0058 0.036
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0025 0.0194 0.0285
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0045 0.044 0.0645
Mycobacterium tuberculosis Probable oxidoreductase 0.0014 0.0058 0.0086
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Echinococcus granulosus cytochrome P450 2K1 0.0025 0.0194 0.0194
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0014 0.0058 0.0849
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0197 0.23 0.3317
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0025 0.0194 0.2271
Echinococcus multilocularis carbonyl reductase 1 0.0014 0.0058 0.0058
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0045 0.044 0.0564
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Onchocerca volvulus Sepiapterin reductase homolog 0.0014 0.0058 0.0849
Onchocerca volvulus 0.0014 0.0058 0.0849
Trichomonas vaginalis ap endonuclease, putative 0.0045 0.044 0.6387
Onchocerca volvulus 0.0014 0.0058 0.0849
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD 0.0253 0.299 0.4387
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0.0058 0.0849
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0014 0.0058 0.0683
Schistosoma mansoni carbonyl reductase 0.0014 0.0058 0.0058
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylenolpyruvoylglucosamine reductase 0.0566 0.6816 1
Treponema pallidum UDP-N-acetylmuramate--L-alanine ligase 0.0468 0.5618 0.8242
Onchocerca volvulus 0.0014 0.0058 0.0849
Mycobacterium tuberculosis Probable dehydrogenase 0.0014 0.0058 0.0086
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.0278 0.3292 0.4785
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0025 0.0194 0.0201
Echinococcus multilocularis carbonyl reductase 1 0.0014 0.0058 0.0058
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0065 0.0689 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0014 0.0058 0.0683
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0025 0.0194 0.0285
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Mycobacterium leprae possible ligase 0.0065 0.0689 0.0933
Leishmania major quinonoid dihydropteridine reductase 0.0014 0.0058 0.036
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0025 0.0194 0.0285
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0014 0.0058 0.0058
Leishmania major short chain dehydrogenase/reductase, putative 0.0014 0.0058 0.036
Mycobacterium tuberculosis Possible oxidoreductase 0.0014 0.0058 0.0086
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Treponema pallidum UDP-N-acetylmuramoylalanine--D-glutamate ligase (murD) 0.045 0.5401 0.7925
Echinococcus multilocularis dnaJ subfamily B 0.049 0.5882 0.5882
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0142 0.1626 0.232
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0017 0.0051
Echinococcus granulosus retinol dehydrogenase 11 0.0014 0.0058 0.0058
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0065 0.0689 0.0689
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0014 0.0058 0.0683
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0197 0.23 0.3374
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0128 0.1457 0.4344
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0079 0.0856 0.2552
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0014 0.0058 0.0086
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0752
Leishmania major quinonoid dihydropteridine reductase 0.0014 0.0058 0.036
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0065 0.0689 0.8847
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0014 0.0058 0.0683
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0142 0.1626 0.1626
Echinococcus granulosus hypothetical protein 0.0014 0.0058 0.0058
Brugia malayi hypothetical protein 0.0014 0.0058 0.0174
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0014 0.0058 0.0058
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0142 0.1626 0.1626
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0014 0.0058 0.0086
Leishmania major hypothetical protein, conserved 0.0014 0.0058 0.036
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0065 0.0689 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0045 0.044 0.0564
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0014 0.0058 0.133
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0444 0.5192
Mycobacterium ulcerans UDP-N-acetylmuramate--L-alanine ligase 0.0468 0.5618 0.8227
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0752
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Leishmania major cytochrome p450-like protein 0.0045 0.0444 0.2732
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Leishmania major cytochrome p450-like protein 0.0025 0.0194 0.1195
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0065 0.0689 0.0689
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Leishmania major short chain dehydrogenase, putative 0.0014 0.0058 0.036
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0065 0.0689 1
Onchocerca volvulus 0.0014 0.0058 0.0849
Trypanosoma brucei short-chain dehydrogenase, putative 0.0014 0.0058 0.0683
Trypanosoma brucei short-chain dehydrogenase, putative 0.0014 0.0058 0.0683
Mycobacterium tuberculosis Possible oxidoreductase 0.0014 0.0058 0.0086
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0014 0.0058 0.0849
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.031 0.0923
Mycobacterium tuberculosis Possible ligase 0.0065 0.0689 0.101
Onchocerca volvulus 0.0014 0.0058 0.0849
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0025 0.0194 0.0285
Echinococcus multilocularis conserved hypothetical protein 0.0014 0.0058 0.0058
Schistosoma mansoni retinal dehydrogenase 0.0014 0.0058 0.0058
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0025 0.0194 0.0201
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0014 0.0058 0.0849
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0079 0.0856 1
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0014 0.0058 0.0058
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0025 0.0194 0.0201
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Leishmania major 3-keto-dihydrosphingosine reductase 0.0014 0.0058 0.036
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0197 0.23 0.3317
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0014 0.0058 0.0058
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0014 0.0058 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0025 0.0194 0.0285
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Trypanosoma brucei oxidoreductase-like protein 0.0014 0.0058 0.0683
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0045 0.0444 0.0571
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0174
Mycobacterium tuberculosis Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase) 0.0566 0.6816 1
Leishmania major hypothetical protein, conserved 0.0014 0.0058 0.036
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0045 0.044 0.5139
Toxoplasma gondii cytochrome p450 superfamily protein 0.0025 0.0194 0.2498
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0058 0.0683
Trichomonas vaginalis ap endonuclease, putative 0.0045 0.044 0.6387
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Trypanosoma cruzi short chain dehydrogenase, putative 0.0014 0.0058 0.0683
Schistosoma mansoni hypothetical protein 0.049 0.5882 0.5882
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Schistosoma mansoni carbonyl reductase 0.0014 0.0058 0.0058
Leishmania major quinonoid dihydropteridine reductase 0.0014 0.0058 0.036
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0065 0.0689 0.8046
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0014 0.0058 0.0683
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE) 0.0278 0.3292 0.4829
Toxoplasma gondii carbonyl reductase 1, putative 0.0014 0.0058 0.0752
Mycobacterium tuberculosis Probable oxidoreductase 0.0014 0.0058 0.0086
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0025 0.0194 0.0201
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0752
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0014 0.0058 0.0683
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0014 0.0058 0.0683
Plasmodium falciparum steroid dehydrogenase, putative 0.0014 0.0058 0.0849
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0025 0.0194 0.0201
Loa Loa (eye worm) CYP4Cod1 0.0045 0.0444 0.1325
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0079 0.0856 0.2552
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0014 0.0058 0.0683
Schistosoma mansoni cpg binding protein 0.0034 0.031 0.031
Schistosoma mansoni survival motor neuron protein 0.0058 0.0595 0.0595
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0014 0.0058 0.0683
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0444 0.5192
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0014 0.0058 0.0683
Schistosoma mansoni steroid dehydrogenase 0.0014 0.0058 0.0058
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0025 0.0194 0.0285
Toxoplasma gondii oxidoreductase, putative 0.0014 0.0058 0.0752
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0014 0.0058 0.0058
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0014 0.0058 0.0683
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0449 0.0449
Mycobacterium leprae PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE) 0.0566 0.6816 1
Leishmania major oxidoreductase-like protein 0.0014 0.0058 0.036
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0014 0.0058 0.0683
Mycobacterium leprae Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD 0.0253 0.299 0.4339
Leishmania major quinonoid dihydropteridine reductase 0.0014 0.0058 0.036
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0025 0.0194 0.0285
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0014 0.0058 0.0058
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramate-alanine ligase 0.0468 0.5618 0.8227
Brugia malayi Cytochrome P450 family protein 0.0045 0.0444 0.1325
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0014 0.0058 0.0174
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Echinococcus granulosus WW domain containing oxidoreductase 0.0014 0.0058 0.0058
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0014 0.0058 0.0849
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0025 0.0194 0.0201
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0174
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0014 0.0058 0.0849
Brugia malayi dehydrogenases, short chain protein 2 0.0014 0.0058 0.0174
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0045 0.044 0.044
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0058 0.0683
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0174
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0014 0.0058 0.0683
Echinococcus multilocularis carbonyl reductase 1 0.0014 0.0058 0.0058
Trypanosoma cruzi folylpolyglutamate synthetase 0.0065 0.0689 0.8046
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0025 0.0194 0.0201
Brugia malayi cytochrome P450 0.0025 0.0194 0.058
Schistosoma mansoni carbonyl reductase 0.0014 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.002 0.0139 0.0414
Loa Loa (eye worm) cytochrome P450 0.0025 0.0194 0.058
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0058 0.0683
Mycobacterium ulcerans UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase 0.045 0.5401 0.7907
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0014 0.0058 0.0086
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0045 0.044 0.044
Brugia malayi Dehydrogenases, short chain protein 2 0.0014 0.0058 0.0174
Leishmania major quinonoid dihydropteridine reductase 0.0014 0.0058 0.036
Schistosoma mansoni ap endonuclease 0.0045 0.044 0.044
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0014 0.0058 0.0683
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0058 0.0683
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0014 0.0058 0.0086
Echinococcus multilocularis cpg binding protein 0.0036 0.0334 0.0334
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0014 0.0058 0.0849
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0079 0.0856 0.5263
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0449 0.0449
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0752
Schistosoma mansoni short chain dehydrogenase 0.0014 0.0058 0.0058
Brugia malayi follicle stimulating hormone receptor 0.0277 0.3282 0.9788

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 47 uM Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. ChEMBL. 10649979
IC50 (binding) = 47 uM Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. ChEMBL. 10649979
IC50 (functional) = 50.15 uM Anticancer activity against human A549 cells after 72 hrs by MTT assay ChEMBL. 20663593

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

1 literature reference was collected for this gene.

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