Detailed information for compound 228008

Basic information

Technical information
  • TDR Targets ID: 228008
  • Name: 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E, 4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3- oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
  • MW: 418.954 | Formula: C24H31ClO4
  • H donors: 1 H acceptors: 3 LogP: 6.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(C/C=C(/C=C/[C@@]2(C)[C@H](C)CCC(=O)[C@@H]2C)\C)c(O)c(c(c1Cl)C)C=O
  • InChi: 1S/C24H31ClO4/c1-14(11-12-24(5)15(2)8-10-20(27)17(24)4)7-9-18-22(28)19(13-26)16(3)21(25)23(18)29-6/h7,11-13,15,17,28H,8-10H2,1-6H3/b12-11+,14-7+/t15-,17+,24+/m1/s1
  • InChiKey: XUAAAHFMBMDZCQ-UMXIGZEWSA-N  

Network

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Synonyms

  • 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxo-cyclohexyl]penta-2,4-dienyl]benzaldehyde
  • 5-chloro-2-hydroxy-3-[(2E,4E)-5-[(1R,2R,6R)-3-keto-1,2,6-trimethyl-cyclohexyl]-3-methyl-penta-2,4-dienyl]-4-methoxy-6-methyl-benzaldehyde
  • 4-O-methylascochlorin
  • 38561-40-9
  • Benzaldehyde, 3-chloro-6-hydroxy-4-methoxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)-

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
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0118 0.0718 0.0696
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0149 0.0298
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0118 0.0718 0.2395
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0118 0.0718 0.18
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.0257 0.1189
Schistosoma mansoni cpg binding protein 0.0033 0.0146 0.0265
Loa Loa (eye worm) glutaminase 0.03 0.1942 0.4864
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0118 0.0718 0.2459
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.012 0.0412
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0025 0.0061
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0118 0.0718 0.0696
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0023 0.0059
Schistosoma mansoni glutamate synthase 0.0118 0.0718 0.1299
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0445 0.2922 0.582
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0177 0.0605
Trypanosoma brucei trypanothione reductase 0.0604 0.3992 0.3977
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0327 0.2126 0.5325
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0118 0.0718 0.0696
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0195 0.0668
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.1496 1 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0166 0.032
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0189 0.0165
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0346 0.2255 0.503
Schistosoma mansoni hypothetical protein 0.0015 0.0025 0.0044
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0039 0.0077
Schistosoma mansoni lamin 0.0028 0.0111 0.0201
Echinococcus multilocularis thioredoxin glutathione reductase 0.0604 0.3992 0.7952
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0673 0.4458 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0025 0.0061
Loa Loa (eye worm) hypothetical protein 0.0028 0.011 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0171 0.0587
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0118 0.0718 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.1496 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0257 0.0644
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0257 0.0233
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0111 0.0278
Trypanosoma brucei hypothetical protein, conserved 0.0118 0.0718 0.0696
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0445 0.2922 0.6535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0103 0.0353
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0118 0.0718 0.1567
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0118 0.0718 0.1919
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0445 0.2922 0.582
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0257 0.0512
Schistosoma mansoni hypothetical protein 0.0013 0.0006 0.0012
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0118 0.0718 1
Echinococcus multilocularis tumor protein p63 0.0374 0.2441 0.4863
Schistosoma mansoni cpg binding protein 0.0031 0.0134 0.0243
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0118 0.0718 1
Leishmania major hypothetical protein, conserved 0.0118 0.0718 0.0696
Echinococcus multilocularis 0.0015 0.0025 0.0049
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0195 0.0171
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0189 0.0646
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0149 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0103 0.0352
Loa Loa (eye worm) hypothetical protein 0.0055 0.0291 0.0729
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0118 0.0718 0.1565
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0118 0.0718 0.0696
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0015 0.0025 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0149 0.027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0012 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0039 0.0097
Echinococcus multilocularis glutamate synthase 0.0118 0.0718 0.1431
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.0035 0.0069
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 0.1597 0.4001
Mycobacterium tuberculosis Probable reductase 0.0346 0.2255 0.503
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.1265 0.8443 0.8439
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0257 0.0233
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0111 0.0278
Onchocerca volvulus 0.0263 0.1693 1
Mycobacterium ulcerans monoxygenase 0.0118 0.0718 0.2395
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0118 0.0718 0.18
Brugia malayi hypothetical protein 0.0018 0.0044 0.0109
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0118 0.0718 0.1749
Trypanosoma cruzi trypanothione reductase, putative 0.0445 0.2922 0.2904
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0445 0.2922 0.7243
Plasmodium vivax SET domain protein, putative 0.0034 0.0149 0.0101
Echinococcus granulosus GPCR family 2 0.0017 0.0039 0.0077
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0035 0.0087
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0118 0.0718 0.1431
Trichomonas vaginalis glutamate synthase, putative 0.0118 0.0718 0.2459
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0017 0.0035 0.001
Brugia malayi Pre-SET motif family protein 0.0034 0.0149 0.0374
Trypanosoma cruzi NADH dehydrogenase, putative 0.0118 0.0718 0.0696
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0445 0.2922 0.2904
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0257 0.088
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0118 0.0718 0.18
Loa Loa (eye worm) hypothetical protein 0.0037 0.0174 0.0436
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.1496 1 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0445 0.2922 0.2904
Echinococcus multilocularis GPCR, family 2 0.0017 0.0039 0.0077
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.011 0.0216
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0039 0.0077
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0025 0.0061
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0177 0.0605
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0118 0.0718 0.2459
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.029 0.0728
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0257 0.0644
Schistosoma mansoni intermediate filament proteins 0.0028 0.0111 0.0201
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0149 0.027
Schistosoma mansoni glutamate synthase 0.0118 0.0718 0.1299
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0025 0.0045
Brugia malayi Cytochrome P450 family protein 0.0015 0.0025 0.0061
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0061 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0208 0.0713
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0327 0.2126 0.5325
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.111 0.7401 0.7394
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0118 0.0718 0.1565
Echinococcus multilocularis voltage gated potassium channel 0.0015 0.0025 0.005
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0257 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0103 0.0352
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0118 0.0718 0.1919
Leishmania major hypothetical protein, conserved 0.0028 0.011 0.0086
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0013 0.0027
Echinococcus multilocularis lamin dm0 0.0028 0.0111 0.0221
Trichomonas vaginalis mercuric reductase, putative 0.0445 0.2922 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.0035 0.0069
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0244 0.0441
Schistosoma mansoni sulfide quinone reductase 0.0118 0.0718 0.1299
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0445 0.2922 0.5285
Entamoeba histolytica disulphide oxidoreductase, putative 0.0118 0.0718 1
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0023 0.0059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0147 0.0503
Echinococcus granulosus glutamate synthase 0.0118 0.0718 0.1431
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0166 0.032
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0445 0.2922 0.2904
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0044 0.0219 0.0435
Loa Loa (eye worm) glutaminase 2 0.03 0.1942 0.4864
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0346 0.2255 0.503
Schistosoma mansoni glutamate synthase 0.0118 0.0718 0.1299
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0081 0.0056
Plasmodium falciparum glutathione reductase 0.0604 0.3992 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0035 0.0118
Trichomonas vaginalis glutaminase, putative 0.03 0.1942 0.6645
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0118 0.0718 0.1431
Schistosoma mansoni disulfide oxidoreductase 0.0118 0.0718 0.1299
Mycobacterium ulcerans hypothetical protein 0.0118 0.0718 0.2395
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0118 0.0718 0.2395
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0118 0.0718 0.1431
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0673 0.4458 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0445 0.2922 0.7243
Schistosoma mansoni sulfide quinone reductase 0.0118 0.0718 0.1299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0103 0.0353
Brugia malayi glutaminase DH11.1 0.03 0.1942 0.4864
Loa Loa (eye worm) inositol-1 0.0041 0.0195 0.0489
Giardia lamblia Glutamate synthase 0.0118 0.0718 0.1731
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0035 0.0118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.012 0.0412
Loa Loa (eye worm) hypothetical protein 0.0014 0.0013 0.0033
Brugia malayi glutamate synthase 0.0118 0.0718 0.18
Trichomonas vaginalis glutamate synthase, putative 0.0118 0.0718 0.2459
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0025 0.0061
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.0035 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0035 0.0118
Giardia lamblia Thioredoxin reductase 0.0118 0.0718 0.1731
Loa Loa (eye worm) hypothetical protein 0.0055 0.029 0.0728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0103 0.0352
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0035 0.0087
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.007
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0118 0.0718 0.0696
Echinococcus granulosus lamin 0.0028 0.0111 0.0221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0103 0.0353
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0118 0.0718 0.2395
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0118 0.0718 0.1565
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0118 0.0718 0.1565
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0445 0.2922 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0445 0.2922 0.7243
Echinococcus multilocularis musashi 0.0028 0.0111 0.0221
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0195 0.0389
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.038 0.0688
Schistosoma mansoni lamin 0.0028 0.0111 0.0201
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0118 0.0718 0.1749
Echinococcus granulosus dnaJ subfamily B 0.0449 0.2944 0.5864
Mycobacterium ulcerans dehydrogenase 0.0118 0.0718 0.2395
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0118 0.0718 0.1565
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.0025
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0118 0.0718 0.1749
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0118 0.0718 0.2395
Loa Loa (eye worm) cytochrome P450 0.0015 0.0025 0.0061
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0118 0.0718 0.1431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0035 0.0118
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0134 0.0337
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0195 0.0171
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0257 0.0512
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0118 0.0718 0.1567
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0025 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0189 0.0646
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0118 0.0718 0.2395
Trypanosoma cruzi NADH dehydrogenase, putative 0.0118 0.0718 0.0696
Loa Loa (eye worm) hypothetical protein 0.0015 0.0025 0.0063
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0195 0.0668
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0118 0.0718 0.2459
Echinococcus multilocularis neuropeptide receptor A26 0.0514 0.3385 0.6743
Leishmania major hypothetical protein, conserved 0.0118 0.0718 0.0696
Echinococcus multilocularis cpg binding protein 0.0033 0.0146 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0189 0.0646
Entamoeba histolytica thioredoxin reductase, putative 0.0118 0.0718 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0445 0.2922 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0195 0.0589
Mycobacterium ulcerans NADH dehydrogenase 0.0118 0.0718 0.2395
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0257 0.0233
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0346 0.2255 0.503
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0118 0.0718 0.1749
Plasmodium falciparum thioredoxin reductase 0.0604 0.3992 1
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0118 0.0718 0.1431
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0346 0.2255 0.503
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0118 0.0718 0.1565
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0118 0.0718 0.1567
Treponema pallidum NADH oxidase 0.0445 0.2922 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0189 0.0646
Trichomonas vaginalis apoptosis inducing factor, putative 0.0118 0.0718 0.2459
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0035 0.0118
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.007
Echinococcus granulosus lamin dm0 0.0028 0.0111 0.0221
Loa Loa (eye worm) hypothetical protein 0.0034 0.0149 0.0374
Brugia malayi cytochrome P450 0.0015 0.0025 0.0061
Trichomonas vaginalis set domain proteins, putative 0.0263 0.1693 0.5794
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0035 0.001
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.011 0.0086
Echinococcus granulosus intermediate filament protein 0.0028 0.0111 0.0221
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0044 0.0219 0.0548
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0346 0.2255 0.503
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0118 0.0718 0.1431
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0118 0.0718 0.1431
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.011 0.0086
Loa Loa (eye worm) hypothetical protein 0.0039 0.0183 0.0457
Trypanosoma cruzi hypothetical protein, conserved 0.0118 0.0718 0.0696
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0025 0.0045
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0017 0.0035 0.001
Plasmodium falciparum glutathione reductase 0.0445 0.2922 0.7243
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.027
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.1265 0.8443 0.8439
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.111 0.7401 0.7394
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0118 0.0718 0.2459
Brugia malayi follicle stimulating hormone receptor 0.0249 0.1597 0.4001
Schistosoma mansoni hypothetical protein 0.0176 0.1109 0.2006
Echinococcus granulosus tumor protein p63 0.0374 0.2441 0.4863
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0122 0.0419
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.0025
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0017 0.0035 0.001
Onchocerca volvulus 0.0031 0.0134 0.0147
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0015 0.0025 0.005
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.007
Schistosoma mansoni glutaminase 0.03 0.1942 0.3512
Mycobacterium ulcerans glutaminase 0.03 0.1942 0.6617
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0118 0.0718 0.1431
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0118 0.0718 0.1565
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.1265 0.8443 0.8439
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0149 0.027
Plasmodium falciparum ferrodoxin reductase-like protein 0.0118 0.0718 0.1567
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0013 0.0027
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0118 0.0718 0.1567
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.0257 0.1189
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0118 0.0718 0.1731
Brugia malayi intermediate filament protein 0.0028 0.0111 0.0278
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0015 0.0025 0.005
Brugia malayi glutathione reductase 0.0604 0.3992 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0673 0.4458 1
Echinococcus granulosus geminin 0.0176 0.1109 0.2209
Schistosoma mansoni inositol monophosphatase 0.0041 0.0195 0.0353
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0445 0.2922 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0189 0.0165
Loa Loa (eye worm) programmed cell death 8 0.0118 0.0718 0.18
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0195 0.0171
Echinococcus granulosus voltage gated potassium channel 0.0015 0.0025 0.005
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0604 0.3992 0.8948
Toxoplasma gondii selenide, water dikinase 0.0118 0.0718 0.1749
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0118 0.0718 0.2459
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0257 0.0233
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0171 0.037
Loa Loa (eye worm) hypothetical protein 0.0118 0.0718 0.18
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0097
Brugia malayi Cytochrome P450 family protein 0.0015 0.0025 0.0061
Leishmania major trypanothione reductase 0.0604 0.3992 0.3977
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0039 0.0097
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0118 0.0718 0.1749
Leishmania major phosphatidylinositol 3-kinase, putative 0.0017 0.0035 0.001
Schistosoma mansoni microtubule-associated protein tau 0.0757 0.502 0.908
Echinococcus granulosus thioredoxin glutathione reductase 0.0604 0.3992 0.7952
Schistosoma mansoni hypothetical protein 0.0118 0.0718 0.1299
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0118 0.0718 0.1431
Echinococcus multilocularis dnaJ subfamily B 0.0449 0.2944 0.5864
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0195 0.043
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0118 0.0718 0.2459
Trypanosoma cruzi hypothetical protein, conserved 0.0118 0.0718 0.0696
Brugia malayi Pre-SET motif family protein 0.0231 0.1479 0.3704
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0171 0.0587
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0257 0.088
Echinococcus granulosus cpg binding protein 0.0033 0.0146 0.0292
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0149 0.027
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0257 0.0233
Schistosoma mansoni cytochrome P450 0.0015 0.0025 0.0044
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0149 0.0298
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0257 0.0233
Trypanosoma cruzi trypanothione reductase, putative 0.0604 0.3992 0.3977
Loa Loa (eye worm) glutathione reductase 0.0604 0.3992 1
Echinococcus granulosus neuropeptide s receptor 0.0514 0.3385 0.6743
Plasmodium vivax thioredoxin reductase, putative 0.0604 0.3992 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0044 0.0219 0.0548
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0195 0.0668
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0445 0.2922 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0118 0.0718 0.2459
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.1479 0.3704
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0244 0.0441
Echinococcus multilocularis geminin 0.0176 0.1109 0.2209
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0118 0.0718 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0174 0.0436
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.1265 0.8443 0.8439
Toxoplasma gondii thioredoxin reductase 0.0604 0.3992 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0118 0.0718 0.2459
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0445 0.2922 0.7303
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0118 0.0718 0.1431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0171 0.0587
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0122 0.0419
Schistosoma mansoni hypothetical protein 0.0057 0.0308 0.0557
Loa Loa (eye worm) hypothetical protein 0.0028 0.0111 0.0278
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0118 0.0718 0.2395
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0257 0.088
Leishmania major acetoin dehydrogenase e3 component-like protein 0.111 0.7401 0.7394
Mycobacterium ulcerans glutamate synthase subunit beta 0.0118 0.0718 0.2395
Mycobacterium ulcerans ferredoxin reductase 0.0118 0.0718 0.2395
Schistosoma mansoni hypothetical protein 0.0037 0.0174 0.0315
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0445 0.2922 0.7319
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0118 0.0718 0.0696
Leishmania major hypothetical protein, conserved 0.0118 0.0718 0.0696
Mycobacterium tuberculosis Probable oxidoreductase 0.0673 0.4458 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0346 0.2255 0.503
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0118 0.0718 0.2459
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0445 0.2922 0.2904
Trypanosoma brucei NADH dehydrogenase 0.0118 0.0718 0.0696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.014 0.0478
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0118 0.0718 0.1565
Loa Loa (eye worm) thioredoxin reductase 0.0604 0.3992 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0332 0.0776
Plasmodium vivax glutathione reductase, putative 0.0604 0.3992 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0118 0.0718 0.18
Schistosoma mansoni hypothetical protein 0.0449 0.2944 0.5325
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0445 0.2922 1
Trichomonas vaginalis glutathione reductase, putative 0.0445 0.2922 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0195 0.0171
Plasmodium falciparum thioredoxin reductase 0.0445 0.2922 0.7243
Schistosoma mansoni cpg binding protein 0.0033 0.0146 0.0265
Brugia malayi Inositol-1 0.0041 0.0195 0.0489
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0291 0.0526
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0118 0.0718 0.2459
Brugia malayi hypothetical protein 0.0028 0.011 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0171 0.0587
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.011 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0171 0.0587
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0035 0.001
Toxoplasma gondii NADPH-glutathione reductase 0.0445 0.2922 0.7303
Echinococcus granulosus microtubule associated protein 2 0.0757 0.502 1
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0025 0.0049
Echinococcus multilocularis neuropeptide s receptor 0.0514 0.3385 0.6743
Echinococcus multilocularis microtubule associated protein 2 0.0757 0.502 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0171 0.0587
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0445 0.2922 0.7243
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.029 0.0728
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0118 0.0718 0.1431
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0195 0.0389
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0044 0.0219 0.0435
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0149 0.0315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0103 0.0353
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0118 0.0718 0.1431
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0118 0.0718 0.0696
Giardia lamblia NADH oxidase lateral transfer candidate 0.0445 0.2922 1
Onchocerca volvulus 0.0034 0.0149 0.0242
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0118 0.0718 0.1565
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.029 0.0728
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0111 0.0278
Echinococcus granulosus neuropeptide receptor A26 0.0514 0.3385 0.6743
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0137 0.0272
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0118 0.0718 0.2395
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0039 0.0097
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0445 0.2922 1
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0118 0.0718 0.1919
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0039 0.0077
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0006 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0171 0.0587
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0118 0.0718 0.1565
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0006 0.0013
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0189 0.0165
Schistosoma mansoni hypothetical protein 0.0176 0.1109 0.2006
Brugia malayi CXXC zinc finger family protein 0.0031 0.0134 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0189 0.0646
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0118 0.0718 0.0696
Echinococcus multilocularis lamin 0.0028 0.0111 0.0221
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0118 0.0718 0.0696
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0118 0.0718 1
Leishmania major NADH dehydrogenase, putative 0.0118 0.0718 0.0696
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0122 0.0419
Brugia malayi Thioredoxin reductase 0.0604 0.3992 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0195 0.0353
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0118 0.0718 0.0696
Onchocerca volvulus 0.0118 0.0718 0.3839
Onchocerca volvulus 0.0055 0.0291 0.1137
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0118 0.0718 0.0696
Brugia malayi Cytochrome P450 family protein 0.0015 0.0025 0.0061
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.111 0.7401 0.7394
Plasmodium vivax ferrodoxin reductase, putative 0.0118 0.0718 0.1567
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0039 0.0077

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) uM Minimum effective concentration required to inhibit Peroxisome proliferator activated receptor gamma (PPAR gamma). ChEMBL. 12954063
IC50 (binding) uM Minimum effective concentration required to inhibit Peroxisome proliferator activated receptor alpha (PPAR alpha); Not detected ChEMBL. 12954063
IC50 (binding) uM Minimum effective concentration required to inhibit Estrogen receptor 2 (ER beta); Not detected ChEMBL. 12954063
IC50 (binding) uM Minimum effective concentration required to inhibit Estrogen receptor 1 (ER alpha); Not detected ChEMBL. 12954063
IC50 (binding) 0 uM Minimum effective concentration required to inhibit Peroxisome proliferator activated receptor gamma (PPAR gamma). ChEMBL. 12954063
IC50 (binding) 0 uM Minimum effective concentration required to inhibit Peroxisome proliferator activated receptor alpha (PPAR alpha); Not detected ChEMBL. 12954063
IC50 (binding) 0 uM Minimum effective concentration required to inhibit Estrogen receptor 1 (ER alpha); Not detected ChEMBL. 12954063
IC50 (binding) 0 uM Minimum effective concentration required to inhibit Estrogen receptor 2 (ER beta); Not detected ChEMBL. 12954063
IC50 (binding) 0 uM Minimum effective concentration required to inhibit androgen receptor (AR) ChEMBL. 12954063
IC50 (functional) = 1.8 uM Concentration required for inhibition of C3H10T1/2 progenitor cell growth ChEMBL. 12954063
IC50 (functional) = 1.8 uM Concentration required for inhibition of C3H10T1/2 progenitor cell growth ChEMBL. 12954063
MEC (binding) = 1 uM Minimum effective concentration required to inhibit pregnane X receptor (PXR) ChEMBL. 12954063
MEC (binding) = 1 uM Minimum effective concentration required to inhibit pregnane X receptor (PXR) ChEMBL. 12954063

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 12954063

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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