Detailed information for compound 1100299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.5 | Formula: C25H27N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC[C@H]1COc1ccccc1)c1ccc2c(c1)C(=O)C1=NCC(CN21)(C)C
  • InChi: 1S/C25H27N3O3/c1-25(2)15-26-23-22(29)20-13-17(10-11-21(20)28(23)16-25)24(30)27-12-6-7-18(27)14-31-19-8-4-3-5-9-19/h3-5,8-11,13,18H,6-7,12,14-16H2,1-2H3/t18-/m0/s1
  • InChiKey: QWLRIACUZMTDDV-SFHVURJKSA-N  


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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus thioredoxin glutathione reductase 0.0183 0.4521 0.4521
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0088 0.2101 1
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0129 0.0129
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0129 0.0286
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0023 0.0451 0.078
Schistosoma mansoni sulfide quinone reductase 0.0023 0.0451 0.0451
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.1148 0.2539
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0088 0.2101 0.4054
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0088 0.2101 0.4517
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0088 0.2101 0.4054
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0451 0.078
Echinococcus multilocularis GPCR, family 2 0.0032 0.0674 0.0674
Trichomonas vaginalis glutamate synthase, putative 0.0023 0.0451 0.2086
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0023 0.0451 0.2086
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0129 0.0129
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0023 0.0451 0.078
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0129 0.0286
Brugia malayi mbt repeat family protein 0.0051 0.1148 0.2539
Toxoplasma gondii thioredoxin reductase 0.0183 0.4521 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0664 0.1262
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0032 0.0684 0.1512
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0032 0.0032
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0129 0.0286
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.1327 0.1327
Brugia malayi Inositol-1 0.0036 0.0771 0.1706
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0023 0.0451 0.0451
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0674 0.0674
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0076 0.0167
Onchocerca volvulus 0.0051 0.1148 0.3685
Schistosoma mansoni disulfide oxidoreductase 0.0023 0.0451 0.0451
Loa Loa (eye worm) inositol-1 0.0036 0.0771 0.1706
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0023 0.0451 0.078
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.1148 0.1148
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0088 0.2101 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0088 0.2101 0.4517
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0675 0.0675
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0129 0.0129
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1624 0.3592
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0023 0.0451 0.078
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.1327 0.1327
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0088 0.2101 0.2101
Echinococcus multilocularis dnaJ subfamily B 0.0397 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0023 0.0451 0.0451
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0129 0.0286
Schistosoma mansoni hypothetical protein 0.0069 0.1624 0.1624
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0023 0.0451 0.2086
Loa Loa (eye worm) glutathione reductase 0.0183 0.4521 1
Trichomonas vaginalis mercuric reductase, putative 0.0088 0.2101 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0023 0.0451 0.2086
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0674 0.0674
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0451 0.078
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0023 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0129 0.0129
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0664 0.1262
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0129 0.0129
Schistosoma mansoni glutamate synthase 0.0023 0.0451 0.0451
Schistosoma mansoni glutamate synthase 0.0023 0.0451 0.0451
Schistosoma mansoni hypothetical protein 0.018 0.4448 0.4448
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0129 0.0286
Trypanosoma cruzi trypanothione reductase, putative 0.0088 0.2101 0.4517
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0088 0.2101 0.2101
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0076 0.0076
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0023 0.0451 0.1726
Leishmania major trypanothione reductase 0.0183 0.4521 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0675 0.0675
Echinococcus granulosus geminin 0.018 0.4448 0.4448
Schistosoma mansoni coup transcription factor 0.0011 0.0129 0.0129
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0771 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0771 0.1505
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Brugia malayi mbt repeat family protein 0.0051 0.1148 0.2539
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0023 0.0451 0.078
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0129 0.0286
Giardia lamblia NADH oxidase lateral transfer candidate 0.0088 0.2101 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1327 0.2935
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0023 0.0451 0.078
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0088 0.2101 0.4517
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0664 0.665
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0023 0.0451 0.078
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0675 0.0675
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0451 0.078
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0771 0.362
Trichomonas vaginalis rotamase, putative 0.0032 0.0684 0.32
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0129 0.0286
Schistosoma mansoni glutamate synthase 0.0023 0.0451 0.0451
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0129 0.0286
Schistosoma mansoni hypothetical protein 0.0023 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0675 0.1287
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0088 0.2101 0.4517
Schistosoma mansoni cpg binding protein 0.0028 0.0568 0.0568
Schistosoma mansoni sulfide quinone reductase 0.0023 0.0451 0.0451
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0088 0.2101 0.4054
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0675 0.1357
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0129 0.0286
Schistosoma mansoni inositol monophosphatase 0.0036 0.0771 0.0771
Mycobacterium tuberculosis Probable oxidoreductase 0.0088 0.2101 0.4054
Onchocerca volvulus 0.0023 0.0451 0.1166
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0771 0.0771
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.1327 0.1327
Echinococcus granulosus glutamate synthase 0.0023 0.0451 0.0451
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0023 0.0451 0.0998
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0664 0.1262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0129 0.0286
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.1148 0.1148
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0023 0.0451 0.078
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0119 0.2894 0.64
Trichomonas vaginalis glutamate synthase, putative 0.0023 0.0451 0.2086
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2443 0.5403
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0023 0.0451 0.0998
Leishmania major hypothetical protein, conserved 0.0023 0.0451 0.078
Schistosoma mansoni hypothetical protein 0.0032 0.0674 0.0674
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0129 0.0129
Brugia malayi ecdysteroid receptor 0.0011 0.0129 0.0286
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Trichomonas vaginalis rotamase, putative 0.0032 0.0664 0.3106
Loa Loa (eye worm) hypothetical protein 0.0032 0.0674 0.1491
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0129 0.0286
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0023 0.0451 0.078
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0199 0.495 0.495
Brugia malayi glutathione reductase 0.0183 0.4521 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0675 0.1287
Brugia malayi Thioredoxin reductase 0.0183 0.4521 1
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0023 0.0451 0.1726
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0088 0.2101 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0023 0.0451 0.0451
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0675 0.055
Leishmania major hypothetical protein, conserved 0.0023 0.0451 0.078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0129 0.0286
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0088 0.2101 0.4517
Loa Loa (eye worm) hypothetical protein 0.0051 0.1148 0.2539
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Brugia malayi steroid hormone receptor 0.0011 0.0129 0.0286
Plasmodium falciparum glutathione reductase 0.0183 0.4521 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0129 0.0286
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0674 0.1491
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0088 0.2101 1
Brugia malayi glutamate synthase 0.0023 0.0451 0.0998
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0199 0.495 0.495
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0023 0.0451 0.078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0129 0.0286
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.1327 0.1327
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.1148 0.1148
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0129 0.0129
Trichomonas vaginalis glutathione reductase, putative 0.0088 0.2101 1
Toxoplasma gondii NADPH-glutathione reductase 0.0088 0.2101 0.4517
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0129 0.0129
Loa Loa (eye worm) MBCTL1 0.0058 0.1327 0.2935
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0129 0.0129
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0129 0.0129
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0088 0.2101 0.4054
Brugia malayi nuclear receptor NHR-88 0.0011 0.0129 0.0286
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0032 0.0032
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0675 0.0675
Loa Loa (eye worm) hypothetical protein 0.0101 0.2443 0.5403
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0073 0.0161
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0088 0.2101 0.4054
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0675 0.055
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0129 0.0129
Brugia malayi isocitrate dehydrogenase 0.0032 0.0675 0.1494
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0129 0.0129
Echinococcus multilocularis expressed protein 0.0032 0.0684 0.0684
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0088 0.2101 0.4054
Echinococcus multilocularis cpg binding protein 0.0029 0.0608 0.0608
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0023 0.0451 0.0998
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0023 0.0451 0.078
Schistosoma mansoni hypothetical protein 0.0032 0.0674 0.0674
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0032 0.0032
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.1327 0.2935
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.1148 0.1148
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0129 0.0286
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.1148 0.1148
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Trypanosoma brucei NADH dehydrogenase 0.0023 0.0451 0.078
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0088 0.2101 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0674 0.0674
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0023 0.0451 0.0451
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0088 0.2101 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0675 0.1494
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0675 0.1287
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0129 0.0129
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0023 0.0451 0.0451
Echinococcus multilocularis geminin 0.018 0.4448 0.4448
Plasmodium vivax thioredoxin reductase, putative 0.0183 0.4521 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0129 0.0129
Plasmodium falciparum glutathione reductase 0.0088 0.2101 0.4054
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.1327 0.1327
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0129 0.0286
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0664 0.1262
Loa Loa (eye worm) programmed cell death 8 0.0023 0.0451 0.0998
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.1148 0.3685
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0023 0.0451 0.2086
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0183 0.4521 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0675 0.0675
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0675 0.0675
Toxoplasma gondii selenide, water dikinase 0.0023 0.0451 0.078
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0129 0.0129
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0771 0.1505
Plasmodium falciparum thioredoxin reductase 0.0088 0.2101 0.4054
Trypanosoma cruzi NADH dehydrogenase, putative 0.0023 0.0451 0.078
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0023 0.0451 0.078
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0088 0.2101 0.4517
Brugia malayi hypothetical protein 0.0119 0.2894 0.64
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0129 0.0129
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0675 0.1494
Trypanosoma cruzi NADH dehydrogenase, putative 0.0023 0.0451 0.078
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0088 0.2101 0.4517
Echinococcus multilocularis thioredoxin glutathione reductase 0.0183 0.4521 0.4521
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0088 0.2101 0.4517
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0023 0.0451 0.078
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0675 0.1287
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1366 0.1366
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0023 0.0451 0.0998
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0771 0.3331
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0568 0.1255
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0023 0.0451 0.2086
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0119 0.2894 0.64
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0129 0.0286
Leishmania major NADH dehydrogenase, putative 0.0023 0.0451 0.078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0129 0.0129
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0129 0.0129
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0088 0.2101 0.4517
Treponema pallidum NADH oxidase 0.0088 0.2101 1
Echinococcus granulosus expressed protein 0.0032 0.0684 0.0684
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0675 0.1287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0129 0.0286
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0771 0.1505
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0023 0.0451 0.078
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0129 0.0129
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0023 0.0451 0.078
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0023 0.0451 0.2086
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0129 0.0286
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0023 0.0451 0.2086
Loa Loa (eye worm) thioredoxin reductase 0.0183 0.4521 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0771 0.362
Schistosoma mansoni inositol monophosphatase 0.0036 0.0771 0.0771
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2443 0.5403
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0684 0.32
Trypanosoma brucei trypanothione reductase 0.0183 0.4521 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0129 0.0286
Echinococcus multilocularis glutamate synthase 0.0023 0.0451 0.0451
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0023 0.0451 0.0451
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0032 0.0032
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0771 0.362
Loa Loa (eye worm) hypothetical protein 0.0023 0.0451 0.0998
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0023 0.0451 0.0451
Schistosoma mansoni hypothetical protein 0.0397 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0675 0.0675
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0129 0.0129
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0023 0.0451 0.0451
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0771 0.1505
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0129 0.0286
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0023 0.0451 0.2086
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0674 0.1491
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0129 0.0129
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0088 0.2101 0.2101
Trypanosoma cruzi trypanothione reductase, putative 0.0183 0.4521 1
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0023 0.0451 0.0451
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0023 0.0451 0.2086
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0674 0.0674
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0088 0.2101 0.4647
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0023 0.0451 0.1726
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0286
Plasmodium falciparum thioredoxin reductase 0.0183 0.4521 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0023 0.0451 0.2086
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0129 0.0286
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0664 0.1262
Leishmania major hypothetical protein, conserved 0.0023 0.0451 0.078
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Onchocerca volvulus Huntingtin homolog 0.0119 0.2894 1
Plasmodium vivax glutathione reductase, putative 0.0183 0.4521 1
Schistosoma mansoni hypothetical protein 0.018 0.4448 0.4448
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0023 0.0451 0.078
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0675 0.1287
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0675 0.1287
Echinococcus granulosus GPCR family 2 0.0032 0.0674 0.0674
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0129 0.0129
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0129 0.0129
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.1148 0.1148
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1205 0.2486
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0771 0.0771
Brugia malayi nuclear hormone receptor 0.0011 0.0129 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0129 0.0286
Onchocerca volvulus Huntingtin homolog 0.0119 0.2894 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0675 0.055
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0771 0.1939
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0129 0.0286
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0032 0.0684 0.1512
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0065 0.1505 0.3329
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0129 0.0129
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0088 0.2101 0.4054
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0065 0.1505 0.3329
Loa Loa (eye worm) hypothetical protein 0.0069 0.1624 0.3592
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0129 0.0129
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0088 0.2101 0.4517
Schistosoma mansoni rotamase 0.0032 0.0684 0.0684
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2443 0.5403
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0771 0.1505
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0023 0.0451 0.0451
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0023 0.0451 0.0451
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0088 0.2101 1
Echinococcus granulosus cpg binding protein 0.0029 0.0608 0.0608
Schistosoma mansoni hypothetical protein 0.0032 0.0674 0.0674
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0308 0.7714 0.7714
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0675 0.055
Schistosoma mansoni hypothetical protein 0.0032 0.0674 0.0674
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.1148 0.1148
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0674 0.1491
Brugia malayi CXXC zinc finger family protein 0.0028 0.0568 0.1255
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0129 0.0129
Onchocerca volvulus 0.0028 0.0568 0.1586
Trichomonas vaginalis apoptosis inducing factor, putative 0.0023 0.0451 0.2086

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 25 % Inhibition of c-terminal histidine-tagged human caspase 3 expressed in Escherichia coli assessed as Ac-DEVD-AFC cleavage at 50 uM after 90 mins by spectrophotometry ChEMBL. 19836248

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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