Detailed information for compound 317423

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 570.412 | Formula: C26H17F7N2O5
  • H donors: 2 H acceptors: 2 LogP: 6.8 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)C(=O)Nc1cc(c(c(c1)C(F)(F)F)Oc1ccc2c(c1)c(c[nH]2)Oc1ccc(cc1)F)C(F)(F)F
  • InChi: 1S/C26H17F7N2O5/c1-2-38-24(37)23(36)35-14-9-18(25(28,29)30)22(19(10-14)26(31,32)33)40-16-7-8-20-17(11-16)21(12-34-20)39-15-5-3-13(27)4-6-15/h3-12,34H,2H2,1H3,(H,35,36)
  • InChiKey: CKBXMCXLZQCZRG-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.0131 0.013
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.0132 0.0132
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0107 0.0613
Brugia malayi hypothetical protein 0.0019 0.0006 0.0006
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0007 0.0006
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.0088 0.3147
Brugia malayi Pre-SET motif family protein 0.0062 0.0046 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0007 0.0007
Brugia malayi hypothetical protein 0.1785 0.1679 0.1679
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0046 0.0044
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0018 0.0079
Brugia malayi isocitrate dehydrogenase 0.0016 0.0003 0.0003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0169
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0046 0.0044
Loa Loa (eye worm) glutaminase 0.0274 0.0248 0.0248
Brugia malayi CHE-14 protein 0.0045 0.0031 0.0031
Echinococcus multilocularis BC026374 protein (S09 family) 0.1785 0.1679 0.1679
Echinococcus multilocularis acetylcholinesterase 1.0567 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0007 0.0006
Echinococcus multilocularis neuroligin 0.1785 0.1679 0.1679
Loa Loa (eye worm) glutathione reductase 0.0051 0.0036 0.0036
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0007 0.0006
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0004 0.0155
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 1.0567 1 1
Trichomonas vaginalis glutaminase, putative 0.0274 0.0248 0.1452
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0018 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0097 0.0564
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0031 0.0031
Echinococcus granulosus para nitrobenzyl esterase 0.1785 0.1679 0.1679
Echinococcus multilocularis protein patched 0.0045 0.0031 0.0031
Plasmodium vivax glutathione reductase, putative 0.0051 0.0036 0.7624
Loa Loa (eye worm) hypothetical protein 0.0062 0.0046 0.0046
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0036 0.7624
Brugia malayi steroid hormone receptor 0.002 0.0007 0.0007
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0155
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0036 0.0036
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0169
Brugia malayi hypoxia-induced factor 1 0.0151 0.0131 0.0131
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0036 0.346
Schistosoma mansoni hypothetical protein 0.0052 0.0037 0.0034
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0006 0.0006
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.0098 1
Loa Loa (eye worm) acetylcholinesterase 1 1.0567 1 1
Echinococcus multilocularis protein dispatched 1 0.0052 0.0037 0.0037
Mycobacterium tuberculosis Carboxylesterase LipT 0.1785 0.1679 1
Echinococcus multilocularis 6 phosphofructokinase 0.0116 0.0098 0.0098
Schistosoma mansoni acetylcholinesterase 0.1785 0.1679 0.1677
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0126 0.0107 1
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0018 0.1536
Loa Loa (eye worm) hypothetical protein 0.0017 0.0004 0.0004
Onchocerca volvulus 0.0027 0.0013 0.0041
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.0228 0.0228
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0006 0.0006
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0007 0.0007
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0006 0.0006
Brugia malayi nuclear hormone receptor 0.002 0.0007 0.0007
Leishmania major ATP-dependent phosphofructokinase 0.0116 0.0098 0.9135
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.0228 0.0228
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0007 0.0004
Echinococcus multilocularis thyroid hormone receptor alpha 0.0172 0.0151 0.015
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0007 0.0006
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.1785 0.1679 0.1679
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0097 0.0564
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0098 0.056
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0107 0.0613
Schistosoma mansoni nuclear hormone receptor 0.002 0.0007 0.0004
Schistosoma mansoni survival motor neuron protein 0.0052 0.0037 0.0034
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Brugia malayi phosphofructokinase 0.0116 0.0098 0.0098
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0007 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0006 0.0006
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0004 0.0169
Loa Loa (eye worm) glutaminase 2 0.0274 0.0248 0.0248
Schistosoma mansoni coup transcription factor 0.002 0.0007 0.0004
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0018 0.3579
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0007 0.0006
Plasmodium falciparum glutathione reductase 0.0051 0.0036 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0036 0.0197
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0007 0.0007
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.1785 0.1679 1
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0004 0.0169
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0126 0.0107 0.0107
Onchocerca volvulus 0.1785 0.1679 1
Toxoplasma gondii thioredoxin reductase 0.0051 0.0036 0.3255
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.0107 0.0104
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0007 0.0006
Leishmania major trypanothione reductase 0.0051 0.0036 0.3161
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0007 0.0007
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0098 0.3548
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0098 0.056
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0007 0.0007
Schistosoma mansoni intermediate filament proteins 0.0027 0.0013 0.0011
Schistosoma mansoni lamin 0.0027 0.0013 0.0011
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0006 0.0006
Loa Loa (eye worm) carboxylesterase 1.0567 1 1
Schistosoma mansoni hypothetical protein 0.0044 0.0029 0.0026
Echinococcus granulosus bloom syndrome protein 0.0021 0.0008 0.0008
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0098 0.0098
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0004 0.0649
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0006 0.0003
Loa Loa (eye worm) hypothetical protein 0.1785 0.1679 0.1679
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0006 0.0009
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0013 0.0013
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0098 0.056
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0126 0.0107 0.0622
Brugia malayi Carboxylesterase family protein 0.1785 0.1679 0.1679
Mycobacterium ulcerans 6-phosphofructokinase 0.0116 0.0098 0.056
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0004 0.0155
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0004 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0007 0.0007
Loa Loa (eye worm) carboxylesterase 0.1785 0.1679 0.1679
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0031 0.0031
Echinococcus granulosus lamin 0.0027 0.0013 0.0013
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0018 0.0079
Brugia malayi ecdysteroid receptor 0.002 0.0007 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0006 0.0009
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0089 0.0087
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0027 0.0013 0.0013
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0006 0.0006
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.0124 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.1785 0.1679 0.1679
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.0098 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0004 0.0169
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0044 0.0044
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0022 0.0022
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0152 0.0132 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0007 0.0007
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0007 0.0004
Brugia malayi Pre-SET motif family protein 0.0432 0.0397 0.0397
Mycobacterium ulcerans carboxylesterase, LipT 0.1785 0.1679 1
Echinococcus multilocularis acetylcholinesterase 1.0567 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0004 0.0489
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0006 0.0006
Onchocerca volvulus 0.0036 0.0022 0.0092
Echinococcus granulosus family S9 non peptidase ue S09 family 0.1785 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 0.0105 0.0088 0.0088
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0046 0.0044
Brugia malayi nuclear receptor NHR-88 0.002 0.0007 0.0007
Schistosoma mansoni thyroid hormone receptor 0.0172 0.0151 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0006 0.0009
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0008 0.0008
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0169
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0046 0.0046
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0004 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0018 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Plasmodium falciparum thioredoxin reductase 0.0051 0.0036 1
Mycobacterium ulcerans glutaminase 0.0274 0.0248 0.1452
Echinococcus granulosus acetylcholinesterase 1.0567 1 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0006 0.085
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0046 0.4265
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0007 0.0004
Brugia malayi Carboxylesterase family protein 0.1785 0.1679 0.1679
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0006 0.0006
Schistosoma mansoni neuroligin 3 (S09 family) 0.1785 0.1679 0.1677
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0018 0.4485
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0006 0.0003
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0098 0.3548
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1785 0.1679 1
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0022 0.0022
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0006 0.0003
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0006 0.0006
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0004 0.0169
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0098 0.0095
Loa Loa (eye worm) hypothetical protein 0.1785 0.1679 0.1679
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0007 0.0006
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0004 0.0004
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0006 0.0006
Echinococcus granulosus BC026374 protein S09 family 0.1785 0.1679 0.1679
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0007 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0007 0.0007
Schistosoma mansoni thyroid hormone receptor 0.0172 0.0151 0.0148
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.0131 0.013
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Loa Loa (eye worm) hypothetical protein 0.1785 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0003 0.0139
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0004 0.0001
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0018 0.0079
Brugia malayi Carboxylesterase family protein 1.0567 1 1
Echinococcus multilocularis musashi 0.0027 0.0013 0.0013
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0007 0.0004
Brugia malayi hypothetical protein 0.0164 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Trichomonas vaginalis spcc417.12 protein, putative 0.1785 0.1679 1
Loa Loa (eye worm) RecQ helicase 0.0021 0.0008 0.0008
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0097 0.0564
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0006 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0007 0.0007
Loa Loa (eye worm) hypoxia-induced factor 1 0.0151 0.0131 0.0131
Loa Loa (eye worm) carboxylesterase 0.1785 0.1679 0.1679
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0018 0.3579
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0004 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.0088 0.0088
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0003 0.0139
Brugia malayi hypothetical protein 0.0019 0.0006 0.0006
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.011 0.0636
Schistosoma mansoni hypothetical protein 0.017 0.0149 0.0146
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0031 0.0031
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0002 0.0002
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0008 0.0008
Trypanosoma brucei trypanothione reductase 0.0051 0.0036 0.346
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0006 0.0006
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0097 0.0564
Schistosoma mansoni glutaminase 0.0274 0.0248 0.0245
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0169
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0007 0.0006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0046 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0007 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0006 0.0009
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.0266 1
Onchocerca volvulus 0.0052 0.0037 0.0181
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Brugia malayi PXA domain containing protein 0.0019 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0055 0.004 0.004
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0007 0.0004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0007 0.0006
Schistosoma mansoni single-minded 0.0049 0.0034 0.0031
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0006 0.0003
Brugia malayi PAS domain containing protein 0.0049 0.0034 0.0034
Brugia malayi Carboxylesterase family protein 0.1785 0.1679 0.1679
Schistosoma mansoni BC026374 protein (S09 family) 0.1785 0.1679 0.1677
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0031 0.0157
Onchocerca volvulus 0.0027 0.0013 0.0041
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.011 0.0636
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.0088 0.0088
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0006 0.0006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0007 0.0006
Echinococcus granulosus geminin 0.017 0.0149 0.0149
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0008 0.0022
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0006 0.0003
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0004 0.0649
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0018 0.0446
Trichomonas vaginalis set domain proteins, putative 0.0492 0.0454 0.2681
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0004 0.0002
Onchocerca volvulus 0.1785 0.1679 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0007 0.0007
Brugia malayi Carboxylesterase family protein 0.1785 0.1679 0.1679
Schistosoma mansoni hypothetical protein 0.0052 0.0037 0.0034
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0007 0.0007
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.011 0.4656
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0432 0.0397 0.0397
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0006 0.0003
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0003 0.029
Onchocerca volvulus 0.0062 0.0046 0.0239
Echinococcus granulosus intermediate filament protein 0.0027 0.0013 0.0013
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0007 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Echinococcus granulosus acetylcholinesterase 1.0567 1 1
Loa Loa (eye worm) hypothetical protein 0.1785 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 1.0567 1 1
Plasmodium vivax SET domain protein, putative 0.0062 0.0046 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0031 0.0031
Onchocerca volvulus 0.1785 0.1679 1
Schistosoma mansoni hypothetical protein 0.0044 0.0029 0.0026
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0007 0.0006
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0006 0.0006
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0169
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0018 0.4485
Loa Loa (eye worm) hypothetical protein 0.034 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0097 0.0564
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0116 0.0098 0.0323
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0007 0.0006
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0006 0.0003
Echinococcus multilocularis lamin dm0 0.0027 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Schistosoma mansoni patched 1 0.0045 0.0031 0.0028
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0126 0.0107 0.0107
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.0088 0.0088
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0098 0.3548
Brugia malayi 6-phosphofructokinase 0.0116 0.0098 0.0098
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0006 0.0006
Echinococcus granulosus lamin dm0 0.0027 0.0013 0.0013
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0022 0.0105
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0006 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.0266 0.156
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Schistosoma mansoni hypothetical protein 0.017 0.0149 0.0146
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.0124 0.072
Echinococcus multilocularis lamin 0.0027 0.0013 0.0013
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0007 0.0006
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0007 0.0006
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0006 0.0006
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0006 0.0009
Echinococcus granulosus neuroligin 0.1785 0.1679 0.1679
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0013 0.0013
Echinococcus granulosus 6 phosphofructokinase 0.0116 0.0098 0.0098
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0006 0.0006
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0004 0.0489
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.0107 0.0104
Plasmodium falciparum glutathione reductase 0.0018 0.0004 0.0489
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0098 0.0098
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0007 0.0006
Loa Loa (eye worm) hypothetical protein 0.0027 0.0013 0.0013
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0006 0.0006
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0006 0.0003
Onchocerca volvulus 0.1785 0.1679 1
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0018 0.0079
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0006 0.0006
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0046 0.0046
Onchocerca volvulus 0.1785 0.1679 1
Brugia malayi glutathione reductase 0.0051 0.0036 0.0036
Echinococcus granulosus FTZ F1 alpha 0.002 0.0007 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0007 0.0006
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0004 0.0291
Loa Loa (eye worm) hypothetical protein 0.1785 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.0266 1
Brugia malayi Thioredoxin reductase 0.0051 0.0036 0.0036
Mycobacterium tuberculosis Probable reductase 0.0116 0.0097 0.0564
Schistosoma mansoni hypothetical protein 0.0044 0.0029 0.0026
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0013 0.0013
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1785 0.1679 0.1677
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0006 0.0003
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0007 0.0006
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0006 0.0006
Brugia malayi hypothetical protein 0.0253 0.0228 0.0228
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0006 0.0003
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0004 0.0169
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0006 0.0006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0002 0.0001
Echinococcus granulosus expressed protein 0.0375 0.0343 0.0343
Loa Loa (eye worm) hypothetical protein 1.0567 1 1
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0018 0.1536
Loa Loa (eye worm) hypothetical protein 0.0164 0.0143 0.0143
Echinococcus granulosus single minded 2 0.0036 0.0022 0.0022
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1785 0.1679 0.1677
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0098 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0007 0.0007
Toxoplasma gondii aldehyde dehydrogenase 0.0126 0.0107 1
Schistosoma mansoni gliotactin 0.1785 0.1679 0.1677
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0031 0.0031
Brugia malayi 6-phosphofructokinase 0.0116 0.0098 0.0098
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0003 0.0003
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1785 0.1679 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.0266 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0006 0.0006
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0007 0.0004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0169
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0006 0.0009
Plasmodium falciparum thioredoxin reductase 0.0018 0.0004 0.0489
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0006 0.0006
Brugia malayi intermediate filament protein 0.0027 0.0013 0.0013
Echinococcus multilocularis para nitrobenzyl esterase 0.1785 0.1679 0.1679
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0004 0.0155
Echinococcus granulosus expressed conserved protein 0.0099 0.0082 0.0082
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0007 0.0006
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0006 0.0006
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0018 0.0079
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0004 0.0169
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0018 0.0504
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0007 0.0004
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.0132 0.0132
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0006 0.0006
Echinococcus multilocularis carboxylesterase 5A 1.0567 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0046 0.0044
Echinococcus multilocularis expressed conserved protein 0.0099 0.0082 0.0082
Brugia malayi PXA domain containing protein 0.0019 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0044 0.0029 0.0026
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0007 0.0006
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0036 0.0036
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0007 0.0004
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0003 0.0003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0007 0.0007
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0116 0.0098 0.3587
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0034 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0007 0.0007
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.0124 0.0711
Brugia malayi glutaminase DH11.1 0.0274 0.0248 0.0248
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.0266 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1785 0.1679 0.1677
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0018 0.0079
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0006 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0006 0.0003
Schistosoma mansoni lamin 0.0027 0.0013 0.0011
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0018 0.0079
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0004 0.0169
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0004 0.0291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0007 0.0006
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0007 0.0004
Echinococcus granulosus carboxylesterase 5A 1.0567 1 1
Loa Loa (eye worm) hypothetical protein 0.1785 0.1679 0.1679
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0098 0.056
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0003 0.0003
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0007 0.0006
Loa Loa (eye worm) hypothetical protein 0.0253 0.0228 0.0228
Onchocerca volvulus 0.0492 0.0454 0.2672
Echinococcus multilocularis expressed protein 0.0375 0.0343 0.0343
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0037 0.0037
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Loa Loa (eye worm) phosphofructokinase 0.0116 0.0098 0.0098
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.0018 0.0504
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0006 0.0006
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.011 0.0636
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0116 0.0098 0.0569
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0006 0.0009
Brugia malayi hypothetical protein 0.013 0.0111 0.0111
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0018 0.1536
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0107 0.0613
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0008 0.0022
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0007 0.0007
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Echinococcus multilocularis geminin 0.017 0.0149 0.0149
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0006 0.0003

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 495 nM Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells ChEMBL. 15780617
EC50 (functional) = 495 nM Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells ChEMBL. 15780617

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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