Detailed information for compound 1648676

Basic information

Technical information
  • TDR Targets ID: 1648676
  • Name: 2-[2-(benzoyloxymethyl)-1,3-benzothiazol-6-yl ]acetic acid
  • MW: 327.354 | Formula: C17H13NO4S
  • H donors: 1 H acceptors: 4 LogP: 3.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1ccc2c(c1)sc(n2)COC(=O)c1ccccc1
  • InChi: 1S/C17H13NO4S/c19-16(20)9-11-6-7-13-14(8-11)23-15(18-13)10-22-17(21)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)
  • InChiKey: IGMOJYYAWGVZIS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-[(oxo-phenylmethoxy)methyl]-1,3-benzothiazol-6-yl]acetic acid
  • 2-[2-(phenylcarbonyloxymethyl)-1,3-benzothiazol-6-yl]ethanoic acid
  • NCI60_036719
  • NSC702652

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 cysteine proteinase falcipain 3 0.002 0.0045 0.1557
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0207 0.0207
Mycobacterium tuberculosis Probable dehydrogenase 0.0127 0.0608 0.1867
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0045 0.2181
Loa Loa (eye worm) inositol-1 0.0043 0.017 0.017
Onchocerca volvulus 0.002 0.0045 0.0642
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0043 0.1458
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0045 0.0045
Trypanosoma cruzi metacaspase, putative 0.0031 0.0105 0.2929
Plasmodium falciparum metacaspase 1 0.0031 0.0105 0.4266
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0045 0.0045
Loa Loa (eye worm) fibroinase 0.002 0.0045 0.0045
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Echinococcus multilocularis retinol dehydrogenase 11 0.0013 0.001 0.001
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0043 0.0102
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0013 0.001 0.001
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0127 0.0608 0.1867
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0011 0.0038
Echinococcus granulosus carbonyl reductase 1 0.0013 0.001 0.001
Echinococcus multilocularis steroid dehydrogenase 0.0013 0.001 0.001
Echinococcus granulosus caspase 2 0.0031 0.0105 0.0105
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0043 0.2042
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.191 1 1
Onchocerca volvulus 0.002 0.0045 0.0642
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0043 0.1458
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.0336 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0317 0.0957
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Onchocerca volvulus 0.002 0.0045 0.0642
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0011 0.0038
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Brugia malayi Cell death protein 3 precursor 0.0031 0.0105 0.0105
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0127 0.0608 0.8894
Trypanosoma cruzi metacaspase, putative 0.0031 0.0105 0.2929
Echinococcus granulosus cathepsin l1 0.002 0.0045 0.0045
Schistosoma mansoni caspase-3 (C14 family) 0.0117 0.0555 0.0555
Loa Loa (eye worm) glutathione reductase 0.0055 0.0234 0.0234
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0105 0.5975
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0043 0.2042
Plasmodium vivax metacaspase 1, putative 0.0031 0.0105 0.4266
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0317 1
Echinococcus multilocularis carbonyl reductase 1 0.0013 0.001 0.001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0317 0.0957
Schistosoma mansoni carbonyl reductase 0.0013 0.001 0.001
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0045 0.1069
Brugia malayi hypothetical protein 0.0013 0.001 0.001
Leishmania major metacaspase, putative 0.0031 0.0105 0.2929
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0031 0.0105 0.0105
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0043 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0045 0.0045
Echinococcus multilocularis retinol dehydrogenase 11 0.0013 0.001 0.001
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0336 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0016 0.0016
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0013 0.001 0.001
Trypanosoma cruzi major cysteine proteinase, putative 0.0059 0.0251 0.7408
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0317 0.0317
Brugia malayi hypothetical protein 0.0144 0.0699 0.0699
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0043 0.1001
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0043 0.1001
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.191 1 1
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0013 0.001 0.001
Brugia malayi Cathepsin L-like precursor 0.0013 0.0011 0.0011
Echinococcus granulosus oxidoreductase 0.0013 0.001 0.001
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0016 0.0016
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0117 0.0555 0.0555
Schistosoma mansoni retinal dehydrogenase 0.0013 0.001 0.001
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0043 0.1001
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0031 0.0105 0.311
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0045 0.0045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0207 0.0207
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0045 0.0045
Trypanosoma brucei metacaspase 0.0031 0.0105 0.2929
Mycobacterium tuberculosis Probable oxidoreductase 0.0621 0.3213 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Entamoeba histolytica cysteine protease, putative 0.002 0.0045 0.2181
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0207 0.0207
Brugia malayi Cathepsin L-like precursor 0.0013 0.0011 0.0011
Leishmania major cathepsin L-like protease 0.002 0.0045 0.1069
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0043 0.0043
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.0302 0.8949
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0207 0.0207
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0105 0.4266
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0043 0.1063
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0031 0.0105 0.311
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Echinococcus multilocularis caspase 3 0.0085 0.0391 0.0391
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.017 0.0498
Echinococcus multilocularis caspase 8 0.0031 0.0105 0.0105
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.015 0.015
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0013 0.001 0.001
Onchocerca volvulus 0.0013 0.001 0.0144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0207 0.0207
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.0317 0.0957
Onchocerca volvulus 0.0013 0.001 0.0144
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Onchocerca volvulus 0.0013 0.001 0.0144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0045 0.2181
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Onchocerca volvulus 0.0013 0.001 0.0144
Onchocerca volvulus 0.002 0.0045 0.0642
Echinococcus multilocularis caspase 0.0117 0.0555 0.0555
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0045 0.0045
Trypanosoma cruzi metacaspase 5, putative 0.0031 0.0105 0.2929
Echinococcus granulosus carbonyl reductase 1 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0045 0.0045
Echinococcus multilocularis transient receptor potential cation channel 0.0013 0.001 0.001
Plasmodium falciparum thioredoxin reductase 0.0055 0.0234 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0013 0.0011 0.0011
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.017 1
Echinococcus granulosus hypothetical protein 0.0013 0.001 0.001
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0013 0.001 0.0144
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0043 0.2042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0043 0.1063
Onchocerca volvulus Cathepsin F homolog 0.002 0.0045 0.0642
Brugia malayi hypothetical protein 0.0013 0.001 0.001
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0013 0.001 0.001
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0013 0.001 0.0144
Leishmania major cathepsin L-like protease 0.002 0.0045 0.1069
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0043 0.0043
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0336 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Entamoeba histolytica cysteine proteinase, putative 0.0013 0.0011 0.0038
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0013 0.001 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0105 0.5975
Echinococcus multilocularis caspase 2 0.0031 0.0105 0.0105
Brugia malayi Cathepsin L-like precursor 0.002 0.0045 0.0045
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0013 0.001 0.001
Echinococcus granulosus caspase 0.0117 0.0555 0.0555
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Onchocerca volvulus 0.0013 0.001 0.0144
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0043 0.1001
Leishmania major cathepsin L-like protease 0.002 0.0045 0.1069
Entamoeba histolytica hypothetical protein 0.004 0.015 0.8773
Brugia malayi Cathepsin L-like precursor 0.002 0.0045 0.0045
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0043 0.0043
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0146 0.0424
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Toxoplasma gondii cathepsin CPL 0.002 0.0045 0.1135
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Plasmodium vivax glutathione reductase, putative 0.0055 0.0234 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0699 0.0699
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0013 0.001 0.001
Onchocerca volvulus Cathepsin L homolog 0.002 0.0045 0.0642
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.017 0.5205
Brugia malayi oxidoreductase 0.0013 0.001 0.001
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0013 0.001 0.0144
Brugia malayi Thioredoxin reductase 0.0055 0.0234 0.0234
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0234 0.0234
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Brugia malayi hypothetical protein 0.004 0.015 0.015
Onchocerca volvulus 0.002 0.0045 0.0642
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0045 0.0045
Schistosoma mansoni carbonyl reductase 0.0013 0.001 0.001
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0013 0.001 0.001
Onchocerca volvulus Huntingtin homolog 0.0144 0.0699 1
Echinococcus granulosus carbonyl reductase 1 0.0013 0.001 0.001
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.017 1
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Leishmania major cathepsin L-like protease 0.0075 0.0336 1
Leishmania major cathepsin L-like protease 0.0075 0.0336 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0045 0.0045
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0043 0.1458
Leishmania major cathepsin L-like protease 0.002 0.0045 0.1069
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0043 0.0102
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0013 0.001 0.001
Trypanosoma brucei metacaspase MCA3 0.0031 0.0105 0.2929
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0043 0.0043
Entamoeba histolytica hypothetical protein 0.004 0.015 0.8773
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Entamoeba histolytica hypothetical protein 0.004 0.015 0.8773
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.017 1
Leishmania major cathepsin L-like protease 0.002 0.0045 0.1069
Echinococcus granulosus caspase 3 0.0085 0.0391 0.0391
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0043 0.0102
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Mycobacterium tuberculosis Probable oxidoreductase 0.0141 0.0683 0.21
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Brugia malayi Cathepsin L-like precursor 0.002 0.0045 0.0045
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Schistosoma mansoni caspase-7 (C14 family) 0.0031 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0031 0.0105 0.0105
Entamoeba histolytica hypothetical protein 0.004 0.015 0.8773
Plasmodium vivax vivapain-2 0.002 0.0045 0.1557
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0045 0.0045
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.017 1
Trypanosoma cruzi metacaspase 5, putative 0.0031 0.0105 0.2929
Brugia malayi Cathepsin L-like cysteine proteinase 0.0013 0.0011 0.0011
Echinococcus granulosus retinol dehydrogenase 11 0.0013 0.001 0.001
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0336 1
Schistosoma mansoni inositol monophosphatase 0.0043 0.017 0.017
Schistosoma mansoni hypothetical protein 0.004 0.015 0.015
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Brugia malayi dehydrogenases, short chain protein 2 0.0013 0.001 0.001
Trypanosoma cruzi metacaspase, putative 0.0031 0.0105 0.2929
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Plasmodium falciparum glutathione reductase 0.0019 0.0043 0.1458
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0043 0.2042
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0234 0.0698
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0043 0.1001
Echinococcus granulosus steroid dehydrogenase 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Onchocerca volvulus Sepiapterin reductase homolog 0.0013 0.001 0.0144
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0234 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0043 1
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0317 0.0317
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0207 0.0207
Plasmodium falciparum thioredoxin reductase 0.0019 0.0043 0.1458
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0207 0.0207
Echinococcus granulosus carbonyl reductase 1 0.0013 0.001 0.001
Schistosoma mansoni serine/threonine protein kinase 0.191 1 1
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0013 0.001 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0207 0.0207
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0317 0.0317
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0045 0.0045
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Brugia malayi Dehydrogenases, short chain protein 2 0.0013 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0013 0.0011 0.0011
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.017 0.017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Trypanosoma brucei trypanothione reductase 0.0055 0.0234 0.6866
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Echinococcus multilocularis oxidoreductase 0.0013 0.001 0.001
Plasmodium vivax vivapain-2 0.002 0.0045 0.1557
Echinococcus multilocularis carbonyl reductase 1 0.0013 0.001 0.001
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.017 0.4902
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.015 0.015
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0234 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0105 0.5975
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.001 0.001
Plasmodium falciparum glutathione reductase 0.0055 0.0234 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0105 0.5975
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Echinococcus granulosus retinol dehydrogenase 11 0.0013 0.001 0.001
Brugia malayi dehydrogenases, short chain protein 9 0.0013 0.001 0.001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0317 0.0317
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0031 0.0105 0.0105
Mycobacterium ulcerans short chain dehydrogenase 0.0621 0.3213 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0105 0.0105
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Loa Loa (eye worm) cysteine protease 0.002 0.0045 0.0045
Onchocerca volvulus Cathepsin L homolog 0.002 0.0045 0.0642
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0105 0.5975
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0105 0.5975
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0127 0.0608 0.1867
Echinococcus granulosus caspase 8 0.0031 0.0105 0.0105
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Onchocerca volvulus 0.0013 0.001 0.0144
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.0146 0.2018
Leishmania major trypanothione reductase 0.0055 0.0234 0.6866
Onchocerca volvulus 0.0013 0.001 0.0144
Brugia malayi Dehydrogenases, short chain protein 30 0.0013 0.001 0.001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.017 1
Schistosoma mansoni caspase-7 (C14 family) 0.0117 0.0555 0.0555
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Brugia malayi Inositol-1 0.0043 0.017 0.017
Trypanosoma brucei metacaspase MCA2 0.0031 0.0105 0.2929
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0127 0.0608 0.1867
Brugia malayi Cathepsin L-like precursor 0.002 0.0045 0.0045
Schistosoma mansoni carbonyl reductase 0.0013 0.001 0.001
Brugia malayi Retinol dehydrogenase 12 0.0013 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Onchocerca volvulus 0.002 0.0045 0.0642
Schistosoma mansoni transcription factor LCR-F1 0.004 0.015 0.015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0045 0.2181
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0013 0.001 0.001
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0013 0.001 0.001
Echinococcus multilocularis carbonyl reductase 1 0.0013 0.001 0.001
Echinococcus multilocularis cysteine protease 0.002 0.0045 0.0045
Onchocerca volvulus 0.0013 0.001 0.0144
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0234 0.0234
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0013 0.001 0.001
Echinococcus multilocularis cysteine protease 0.002 0.0045 0.0045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0207 0.0207
Loa Loa (eye worm) ctsf protein 0.002 0.0045 0.0045
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0045 0.0045
Onchocerca volvulus Huntingtin homolog 0.0144 0.0699 1
Echinococcus multilocularis steroid dehydrogenase 0.0013 0.001 0.001
Echinococcus granulosus hypothetical protein 0.0013 0.001 0.001
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.017 0.4902
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Brugia malayi cathepsin L-like precursor 0.0013 0.0011 0.0011
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0045 0.2181
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.0317 0.9416
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0043 0.1001
Brugia malayi glutathione reductase 0.0055 0.0234 0.0234
Trypanosoma brucei Metacaspase-4 0.0031 0.0105 0.2929
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Trypanosoma brucei metacaspase 5, putative 0.0031 0.0105 0.2929
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0043 0.1001
Echinococcus multilocularis conserved hypothetical protein 0.0013 0.001 0.001
Echinococcus granulosus MAP kinase activated protein kinase 2 0.191 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0013 0.001 0.001
Onchocerca volvulus 0.0013 0.001 0.0144
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.017 0.4902
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0043 0.1001
Toxoplasma gondii thioredoxin reductase 0.0055 0.0234 0.7292
Echinococcus multilocularis retinol dehydrogenase 13 0.0013 0.001 0.001
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0141 0.0683 1
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Echinococcus multilocularis carbonyl reductase 1 0.0013 0.001 0.001
Echinococcus granulosus WW domain containing oxidoreductase 0.0013 0.001 0.001
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0045 0.2181
Loa Loa (eye worm) dehydrogenase 0.0013 0.001 0.001
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0043 0.0102
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.0336 1
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Leishmania major cathepsin L-like protease 0.0075 0.0336 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0045 0.1557
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.001 0.001
Onchocerca volvulus 0.0013 0.0011 0.0152
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.017 0.4902
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0317 0.0957
Onchocerca volvulus Cell death protein 3 homolog 0.0031 0.0105 0.1509
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0141 0.0683 0.21
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0105 0.5975
Onchocerca volvulus 0.0013 0.001 0.0144
Schistosoma mansoni steroid dehydrogenase 0.0013 0.001 0.001
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.017 0.017
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0234 0.6866
Onchocerca volvulus 0.0013 0.001 0.0144
Leishmania major cysteine peptidase A (CPA) 0.002 0.0045 0.1069
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0043 0.1001
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0127 0.0608 0.1867
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Onchocerca volvulus 0.0013 0.001 0.0144
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Echinococcus granulosus cathepsin l1 0.0013 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0144 0.0699 0.0699
Loa Loa (eye worm) dehydrogenase 0.0013 0.001 0.001
Onchocerca volvulus 0.0013 0.001 0.0144
Trypanosoma cruzi metacaspase, putative 0.0031 0.0105 0.2929
Plasmodium falciparum metacaspase-like protein 0.0031 0.0105 0.4266
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0031 0.0105 0.311
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0045 0.1557
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0043 0.1001
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0141 0.0683 0.21
Loa Loa (eye worm) hypothetical protein 0.0013 0.0011 0.0011
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0117 0.0555 0.0555
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Loa Loa (eye worm) oxidoreductase 0.0013 0.001 0.001
Brugia malayi Cathepsin L-like precursor 0.002 0.0045 0.0045
Schistosoma mansoni cathepsin F (C01 family) 0.0013 0.0011 0.0011
Onchocerca volvulus 0.002 0.0045 0.0642
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0045 0.2181
Mycobacterium tuberculosis Probable reductase 0.0127 0.0608 0.1867
Treponema pallidum NADH oxidase 0.0019 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Schistosoma mansoni short chain dehydrogenase 0.0013 0.001 0.001
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0043 0.1458
Schistosoma mansoni inositol monophosphatase 0.0043 0.017 0.017

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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