Detailed information for compound 1108261

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.402 | Formula: C20H21FN4O6
  • H donors: 1 H acceptors: 6 LogP: 1.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)CCC(=O)N1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
  • InChi: 1S/C20H21FN4O6/c21-15-9-13-16(24(12-1-2-12)11-14(19(13)27)20(28)29)10-17(15)22-5-7-23(8-6-22)18(26)3-4-25(30)31/h9-12H,1-8H2,(H,28,29)
  • InChiKey: XJPQKLJJDPCGAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans isocitrate lyase capable of functionally substituting for S. cerevisiae ICL1 (YER065C) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium ulcerans isocitrate lyase Icl Get druggable targets OG5_129572 All targets in OG5_129572
Candida albicans isocitrate lyase capable of functionally substituting for S. cerevisiae ICL1 (YER065C) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium ulcerans isocitrate lyase AceAb Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) Get druggable targets OG5_129572 All targets in OG5_129572
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) Get druggable targets OG5_129572 All targets in OG5_129572
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
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0056 0.0077
Loa Loa (eye worm) hypothetical protein 0.0099 0.0851 0.1678
Echinococcus granulosus hypothetical protein 0.0185 0.1859 0.361
Echinococcus multilocularis Polycystic kidney disease protein 0.0099 0.0851 0.0851
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0121 0.0121
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0057 0.0362 0.035
Brugia malayi bHLH-PAS transcription factor 0.0074 0.0561 0.1078
Loa Loa (eye worm) cytochrome P450 family protein 0.0115 0.1042 0.2055
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0057 0.0362 0.0411
Brugia malayi hypothetical protein 0.0336 0.3618 0.7124
Brugia malayi MAP kinase sur-1 0.0052 0.0305 0.0572
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0057 0.0362 0.035
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0057 0.0362 0.0411
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0056 0.0077
Schistosoma mansoni lipoxygenase 0.0467 0.5149 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0305 0.1624
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0036 0.0039
Brugia malayi Protein kinase domain containing protein 0.0187 0.1881 0.3688
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0121 0.0235
Echinococcus granulosus Polycystic kidney disease protein 0.0099 0.0851 0.1653
Leishmania major protein kinase, putative 0.0187 0.1881 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0056 0.0077
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.012 0.5
Leishmania major hypothetical protein, conserved 0.0027 0.0017 0.0088
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0305 0.0305
Echinococcus granulosus single minded 2 0.0074 0.0561 0.109
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0121 0.0128
Loa Loa (eye worm) cytochrome P450 family protein 0.0101 0.087 0.1716
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0056 0.0077
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0057 0.0362 0.035
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0121 0.0121
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0129 0.0223
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0305 0.155
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0028 0.0022 0.0117
Echinococcus granulosus lamin 0.0054 0.0331 0.0642
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0056 0.0077
Leishmania major protein kinase, putative 0.0028 0.0022 0.0117
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0121 0.0643
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0187 0.1881 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0305 0.1624
Loa Loa (eye worm) hypothetical protein 0.0044 0.0205 0.0404
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0057 0.0362 0.0411
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0057 0.0362 0.0411
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0057 0.0362 0.035
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.012 0.1093 0.1093
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0056 0.0654
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0056 0.0056
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.012 0.0234
Echinococcus multilocularis lipoxygenase domain containing protein 0.0099 0.0851 0.0851
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0187 0.1881 0.3708
Brugia malayi steroid hormone receptor 0.0031 0.0056 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0057 0.0362 0.0411
Plasmodium falciparum protein serine/threonine kinase-1 0.0187 0.1881 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0017 0.0033
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0057 0.0362 0.1923
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0056 0.0056
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.012 0.012
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0057 0.0362 0.1923
Mycobacterium leprae putative cytochrome p450 0.0057 0.0362 0.0515
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0057 0.0362 0.035
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0121 0.0643
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0002 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0056 0.0077
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0002 0.0005
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0056 0.0654
Plasmodium falciparum LCCL domain-containing protein 0.0099 0.0851 0.4477
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0187 0.1881 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0056 0.0077
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0057 0.0362 0.0411
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0056 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0057 0.0362 0.0411
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0187 0.1881 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0036 0.0071
Plasmodium vivax serine/threonine kinase-1, putative 0.0187 0.1881 1
Mycobacterium leprae Conserved hypothetical protein 0.0057 0.0362 0.0515
Mycobacterium leprae Isocitrate lyase 0.0294 0.3129 0.4458
Schistosoma mansoni rab6-interacting 0.0099 0.0851 0.1562
Schistosoma mansoni inositol monophosphatase 0.0036 0.012 0.0127
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.012 0.1093 0.1411
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0056 0.0108
Schistosoma mansoni lamin 0.0054 0.0331 0.054
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0056 0.0077
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0056 0.0108
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0305 0.1049
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0057 0.0362 0.0411
Brugia malayi Doublecortin family protein 0.0099 0.0851 0.1651
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0028 0.0022 0.0117
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0056 0.0108
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0057 0.0362 0.0411
Mycobacterium ulcerans isocitrate lyase AceAb 0.0627 0.7019 1
Brugia malayi ecdysteroid receptor 0.0031 0.0056 0.0077
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0121 0.0643
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0057 0.0362 0.0411
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0057 0.0362 0.035
Brugia malayi Cytochrome P450 family protein 0.0057 0.0362 0.0683
Schistosoma mansoni single-minded 0.01 0.0865 0.1589
Leishmania major protein kinase, putative 0.0187 0.1881 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.012 0.064
Loa Loa (eye worm) hypothetical protein 0.0026 0.0002 0.0005
Brugia malayi hypothetical protein 0.0099 0.0851 0.1651
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0057 0.0362 0.035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0056 0.011
Brugia malayi Cytochrome P450 family protein 0.0115 0.1042 0.2029
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0056 0.0108
Loa Loa (eye worm) hypothetical protein 0.0054 0.033 0.065
Schistosoma mansoni hypothetical protein 0.0099 0.0851 0.1562
Echinococcus multilocularis transfer RNA-Lys 0.0074 0.0561 0.0561
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0057 0.0362 0.0411
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0057 0.0362 0.035
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0467 0.5149 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0305 0.1624
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0056 0.0654
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0057 0.0362 0.1851
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0057 0.0362 0.035
Loa Loa (eye worm) hypothetical protein 0.0099 0.0851 0.1678
Trypanosoma brucei cytochrome P450, putative 0.0101 0.087 0.4581
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0461 0.5071 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0057 0.0362 0.0411
Brugia malayi PAS domain containing protein 0.01 0.0865 0.1679
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0056 0.0056
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0305 0.049
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0057 0.0362 0.0411
Echinococcus multilocularis lamin dm0 0.0054 0.0331 0.0331
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0467 0.5149 0.5149
Echinococcus granulosus cytochrome P450 2K1 0.0057 0.0362 0.0702
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0056 0.0077
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0056 0.0056
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.012 0.064
Brugia malayi hypoxia-induced factor 1 0.031 0.3314 0.6524
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0056 0.0056
Echinococcus granulosus lipoxygenase domain containing protein 0.0099 0.0851 0.1653
Leishmania major cytochrome p450-like protein 0.0057 0.0362 0.1923
Trypanosoma brucei protein kinase, putative 0.0052 0.0305 0.155
Plasmodium vivax multidomain scavenger receptor, putative 0.0099 0.0851 0.4477
Schistosoma mansoni aryl hydrocarbon receptor 0.01 0.0865 0.1589
Echinococcus granulosus dual specificity protein kinase clk2 0.0187 0.1881 0.3652
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Echinococcus granulosus RUN 0.0099 0.0851 0.1653
Echinococcus multilocularis dual specificity protein kinase clk2 0.0187 0.1881 0.1881
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0056 0.0108
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0057 0.0362 0.0411
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0057 0.0362 0.1923
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0305 0.155
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Loa Loa (eye worm) hypothetical protein 0.0036 0.0121 0.0238
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0305 0.1624
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.012 0.1093 0.1411
Onchocerca volvulus 0.0054 0.0331 0.3886
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0056 0.011
Loa Loa (eye worm) doublecortin family protein 0.0099 0.0851 0.1678
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0121 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0057 0.0362 0.035
Echinococcus granulosus lipoxygenase domain containing protein 0.0099 0.0851 0.1653
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.0627 0.7019 1
Brugia malayi nuclear hormone receptor 0.0031 0.0056 0.0077
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.012 0.064
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0056 0.0077
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.033 0.062
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0057 0.0362 0.0411
Schistosoma mansoni rab6-interacting 0.0099 0.0851 0.1562
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.012 0.064
Brugia malayi Cytochrome P450 family protein 0.0101 0.087 0.1689
Giardia lamblia Kinase, CMGC CLK 0.0187 0.1881 1
Schistosoma mansoni intermediate filament proteins 0.0054 0.0331 0.054
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0305 0.0305
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0057 0.0362 0.035
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0057 0.0362 0.0411
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0331 0.0622
Brugia malayi hypothetical protein 0.0099 0.0851 0.1651
Schistosoma mansoni lamin 0.0054 0.0331 0.054
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0331 0.0652
Brugia malayi cytochrome P450 0.0057 0.0362 0.0683
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0056 0.011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0056 0.011
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0076 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0056 0.0077
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0056 0.0056
Schistosoma mansoni polycystin 1-related 0.0099 0.0851 0.1562
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0121 0.0121
Loa Loa (eye worm) hypoxia-induced factor 1 0.031 0.3314 0.6535
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0028 0.0022 0.0117
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.012 0.1093 0.1466
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0057 0.0362 0.035
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0121 0.056
Echinococcus multilocularis musashi 0.0054 0.0331 0.0331
Echinococcus multilocularis lipoxygenase domain containing protein 0.0099 0.0851 0.0851
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0057 0.0362 0.035
Loa Loa (eye worm) CYP4Cod1 0.0101 0.087 0.1716
Loa Loa (eye worm) hypothetical protein 0.0037 0.0129 0.0255
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0187 0.1881 1
Schistosoma mansoni serine/threonine protein kinase 0.0187 0.1881 0.3583
Echinococcus multilocularis RUN 0.0099 0.0851 0.0851
Schistosoma mansoni loxhd1 0.0099 0.0851 0.1562
Onchocerca volvulus 0.0099 0.0851 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0187 0.1881 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0121 0.0643
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0056 0.0056
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0305 0.1624
Onchocerca volvulus 0.0054 0.0331 0.3886
Loa Loa (eye worm) hypothetical protein 0.0053 0.0319 0.0629
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0627 0.7019 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0057 0.0362 0.035
Trypanosoma cruzi cytochrome P450, putative 0.0101 0.087 0.4628
Brugia malayi follicle stimulating hormone receptor 0.0461 0.5071 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0057 0.0362 0.0411
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.033 0.062
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0056 0.0056
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.012 0.1093 0.2038
Mycobacterium ulcerans isocitrate lyase Icl 0.0627 0.7019 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0305 0.0602
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0057 0.0362 0.035
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0187 0.1881 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0056 0.0077
Echinococcus multilocularis 0.0057 0.0362 0.0362
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.012 0.0557
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0056 0.011
Echinococcus multilocularis lamin 0.0054 0.0331 0.0331
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.012 0.064
Echinococcus multilocularis 0.0185 0.1859 0.1859
Brugia malayi Cytochrome P450 family protein 0.0101 0.087 0.1689
Schistosoma mansoni inositol monophosphatase 0.0036 0.012 0.0127
Schistosoma mansoni hypothetical protein 0.0037 0.0129 0.0144
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0056 0.0108
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0057 0.0362 0.0411
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0101 0.087 0.1087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0056 0.011
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0057 0.0362 0.0411
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0057 0.0362 0.035
Leishmania major cytochrome p450-like protein 0.0101 0.087 0.4628
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0121 0.0643
Loa Loa (eye worm) inositol-1 0.0036 0.012 0.0237
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.012 0.0557
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0305 0.0593
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0056 0.0108
Loa Loa (eye worm) hypothetical protein 0.0185 0.1859 0.3665
Loa Loa (eye worm) cytochrome P450 0.0057 0.0362 0.0713
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.012 0.1093 0.2124
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0121 0.0643
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Onchocerca volvulus 0.0099 0.0851 1
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0121 0.0235
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0056 0.0108
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0187 0.1881 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.033 0.065
Mycobacterium ulcerans putative regulatory protein 0.0074 0.0561 0.0639
Toxoplasma gondii cytochrome p450 superfamily protein 0.0057 0.0362 0.1851
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Trypanosoma cruzi cytochrome P450, putative 0.0101 0.087 0.4628
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0627 0.7019 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0026 0 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0305 0.0593
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0627 0.7019 1
Leishmania major cytochrome p450-like protein 0.0057 0.0362 0.1923
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.012 0.1093 0.2131
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0108 0.0958 0.1889
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0121 0.0128
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0017 0.0088
Echinococcus granulosus intermediate filament protein 0.0054 0.0331 0.0642
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0121 0.0235
Schistosoma mansoni cytochrome P450 0.0057 0.0362 0.0601
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Loa Loa (eye worm) cytochrome P450 family protein 0.0101 0.087 0.1716
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0057 0.0362 0.035
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0057 0.0362 0.035
Loa Loa (eye worm) hypothetical protein 0.0054 0.0331 0.0652
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0057 0.0362 0.0411
Schistosoma mansoni lipoxygenase 0.0289 0.307 0.5918
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.012 0.064
Onchocerca volvulus 0.0031 0.0056 0.0654
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0056 0.0056
Brugia malayi intermediate filament protein 0.0054 0.0331 0.0622
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0305 0.1624
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0028 0.0022 0.0117
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0057 0.0362 0.035
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0331 0.0652
Onchocerca volvulus 0.0074 0.0561 0.6595
Schistosoma mansoni hypothetical protein 0.0057 0.0362 0.0601
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0057 0.0362 0.035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0056 0.011
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0056 0.0077
Leishmania major protein kinase, putative 0.0028 0.0022 0.0117
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.011
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0056 0.0077
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0305 0.1624
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.012 0.1093 0.5815
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0017 0.0088
Echinococcus granulosus lamin dm0 0.0054 0.0331 0.0642
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0305 0.1624
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0305 0.1624
Brugia malayi Inositol-1 0.0036 0.012 0.0205
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0056 0.0108
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0056 0.0077
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0057 0.0362 0.1923
Schistosoma mansoni serine/threonine protein kinase 0.0187 0.1881 0.3583
Loa Loa (eye worm) hypothetical protein 0.0336 0.3618 0.7134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0056 0.011
Trichomonas vaginalis CMGC family protein kinase 0.0187 0.1881 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0121 0.0206
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0305 0.1624
Brugia malayi nuclear receptor NHR-88 0.0031 0.0056 0.0077

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of Mycobacterium tuberculosis isocitrate lyase ChEMBL. 21840711
MIC (functional) = 0.09 uM Antimycobacterial activity against 6-weeks nutrient starved phase cultures of Mycobacterium tuberculosis H37Rv treated for 7 days measured after 4 weeks by agar dilution method ChEMBL. 21840711
MIC (functional) = 1.8 uM Antimycobacterial activity against active log phase Mycobacterium tuberculosis H37Rv by agar dilution method ChEMBL. 21840711

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

1 literature reference was collected for this gene.

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