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

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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