Detailed information for compound 77683

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.63 | Formula: C27H39N5O3
  • H donors: 0 H acceptors: 3 LogP: 4.21 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1[C@@H](Cn2cncn2)[C@@H](CC[C@@]1(C)CCn1cncc1)COc1ccc(cc1)OC(C)(C)C
  • InChi: 1S/C27H39N5O3/c1-26(2,3)35-23-8-6-22(7-9-23)34-17-21-10-11-27(4,12-14-31-15-13-28-19-31)25(33-5)24(21)16-32-20-29-18-30-32/h6-9,13,15,18-21,24-25H,10-12,14,16-17H2,1-5H3/t21-,24-,25?,27-/m0/s1
  • InChiKey: LWRFTIKWYSWCIP-DNRLNLDBSA-N  


Substructure search Similarity search

Network

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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
Leishmania major hypothetical protein, conserved 0.0053 0.0643 0.0505
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0351 0.034
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0409 0.0978
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0025 0.0014
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0309 0.4199 1
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0053 0.0643 0.0505
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0053 0.0643 0.1136
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0445 0.1033
Schistosoma mansoni hypothetical protein 0.0178 0.2384 0.2375
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0053 0.0643 0.0632
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.02 0.2685 0.6226
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Echinococcus granulosus lamin dm0 0.0028 0.0299 0.0288
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0187 0.0448
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0053 0.0643 0.1538
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0053 0.0643 0.1136
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0053 0.0643 0.1711
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0116 0.0283
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0162 0.2157 0.4894
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0053 0.0643 0.0632
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0187 0.0476
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0053 0.0643 0.0632
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0081 0.1026 0.2091
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0494 0.0483
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0494 0.0483
Echinococcus multilocularis cpg binding protein 0.0032 0.0349 0.0338
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0445 0.1065
Schistosoma mansoni hypothetical protein 0.0178 0.2384 0.2375
Schistosoma mansoni cpg binding protein 0.0032 0.0349 0.0338
Plasmodium vivax ferrodoxin reductase, putative 0.0053 0.0643 0.0872
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0053 0.0643 0.0632
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0187 0.0096
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0053 0.0643 0.1824
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0053 0.0643 0.1538
Echinococcus multilocularis neuropeptide receptor A26 0.0487 0.667 0.6666
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.02 0.2685 0.6968
Plasmodium vivax thioredoxin reductase, putative 0.0273 0.3701 1
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.3364 0.3356
Mycobacterium ulcerans dehydrogenase 0.0053 0.0643 0.1824
Echinococcus multilocularis thioredoxin glutathione reductase 0.0273 0.3701 0.3693
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Onchocerca volvulus 0.0053 0.0643 0.1394
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0187 0.0096
Loa Loa (eye worm) hypothetical protein 0.0081 0.1026 0.275
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0081 0.1026 0.1254
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0669 0.9209 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0049 0.0102
Schistosoma mansoni cpg binding protein 0.003 0.0325 0.0314
Brugia malayi Pre-SET motif family protein 0.022 0.2959 0.7988
Onchocerca volvulus 0.0028 0.0299 0.0313
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0053 0.0643 0.0632
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0351 0.034
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0053 0.0643 0.1141
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0445 0.0379
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0053 0.0643 0.1824
Schistosoma mansoni lamin 0.0028 0.0299 0.0288
Echinococcus granulosus neuropeptide s receptor 0.0487 0.667 0.6666
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0187 0.0176
Plasmodium falciparum glutathione reductase 0.0273 0.3701 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0812 0.0801
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0053 0.0643 0.1141
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0325 0.0314
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0445 0.0286
Giardia lamblia Thioredoxin reductase 0.0053 0.0643 0.1141
Schistosoma mansoni glutamate synthase 0.0053 0.0643 0.0632
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0389 0.0472
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0061 0.005
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.02 0.2685 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0299 0.078
Echinococcus granulosus thioredoxin glutathione reductase 0.0273 0.3701 0.3693
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0445 0.0282
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0061 0.005
Schistosoma mansoni survival motor neuron protein 0.0051 0.061 0.06
Trypanosoma cruzi trypanothione reductase, putative 0.0273 0.3701 0.3894
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0053 0.0643 0.0505
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0134
Onchocerca volvulus 0.0032 0.0351 0.0475
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0053 0.0643 0.1824
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.02 0.2685 0.2677
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0053 0.0643 0.0872
Trichomonas vaginalis set domain proteins, putative 0.025 0.3379 0.8083
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0445 0.1065
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0053 0.0643 0.0872
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0444 0.1173
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0053 0.0643 0.0632
Onchocerca volvulus 0.003 0.0325 0.0394
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0053 0.0643 0.1711
Trichomonas vaginalis apoptosis inducing factor, putative 0.0053 0.0643 0.1538
Loa Loa (eye worm) thioredoxin reductase 0.0273 0.3701 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0187 0.0476
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0053 0.0643 0.0596
Toxoplasma gondii selenide, water dikinase 0.0053 0.0643 0.0872
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0445 0.0434
Plasmodium falciparum glutathione reductase 0.02 0.2685 0.6679
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0053 0.0643 0.1108
Mycobacterium ulcerans monoxygenase 0.0053 0.0643 0.1824
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0147 0.1947 0.5247
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0497 0.6813 0.7345
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0299 0.078
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Trichomonas vaginalis glutathione reductase, putative 0.02 0.2685 0.6423
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0053 0.0643 0.1136
Schistosoma mansoni lamin 0.0028 0.0299 0.0288
Echinococcus granulosus dnaJ subfamily B 0.043 0.5888 0.5884
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0012 0.0028
Schistosoma mansoni inositol monophosphatase 0.0039 0.0445 0.0434
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0351 0.034
Chlamydia trachomatis endonuclease IV 0.0081 0.1026 0.1877
Plasmodium falciparum thioredoxin reductase 0.02 0.2685 0.6679
Loa Loa (eye worm) hypothetical protein 0.002 0.0187 0.0476
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0444 0.0433
Loa Loa (eye worm) programmed cell death 8 0.0053 0.0643 0.1711
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0081 0.1026 0.275
Loa Loa (eye worm) hypothetical protein 0.0034 0.0373 0.098
Loa Loa (eye worm) inositol-1 0.0039 0.0445 0.1175
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0053 0.0643 0.1141
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0051 0.0106
Echinococcus granulosus geminin 0.0178 0.2384 0.2375
Schistosoma mansoni disulfide oxidoreductase 0.0053 0.0643 0.0632
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0025 0.0014
Echinococcus multilocularis dna polymerase kappa 0.002 0.0187 0.0176
Brugia malayi CXXC zinc finger family protein 0.003 0.0325 0.0849
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0053 0.0643 0.0505
Loa Loa (eye worm) glutathione reductase 0.0273 0.3701 1
Entamoeba histolytica disulphide oxidoreductase, putative 0.0053 0.0643 0.1141
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0053 0.0643 0.1108
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.02 0.2685 0.2769
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0025 0.0014
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0053 0.0643 0.0872
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0053 0.0643 0.1711
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0012 0.0028
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0053 0.0643 0.1141
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0053 0.0643 0.1824
Mycobacterium ulcerans epimerase 0.0021 0.02 0.005
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0309 0.4199 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0308 0.418 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.02 0.2685 0.6255
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0566 0.7774 0.8409
Schistosoma mansoni cpg binding protein 0.0032 0.0349 0.0338
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0445 0.0646
Onchocerca volvulus 0.025 0.3379 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0053 0.0643 0.1538
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.02 0.2685 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.02 0.2685 0.2769
Leishmania major NADH dehydrogenase, putative 0.0053 0.0643 0.0505
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0053 0.0643 0.1136
Echinococcus granulosus dna polymerase eta 0.002 0.0187 0.0176
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.02 0.2685 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0292 0.076
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0187 0.0176
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0025 0.0014
Leishmania major hypothetical protein, conserved 0.0053 0.0643 0.0505
Trypanosoma cruzi NADH dehydrogenase, putative 0.0053 0.0643 0.0505
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0053 0.0643 0.0505
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0351 0.034
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0053 0.0643 0.0872
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.02 0.2685 0.2677
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0187 0.0448
Schistosoma mansoni hypothetical protein 0.043 0.5888 0.5884
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0053 0.0643 0.0882
Echinococcus granulosus intermediate filament protein 0.0028 0.0299 0.0288
Mycobacterium tuberculosis Probable dehydrogenase 0.0162 0.2157 0.491
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.0021 0.02 0.005
Schistosoma mansoni glutamate synthase 0.0053 0.0643 0.0632
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0444 0.0433
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0445 0.0434
Loa Loa (eye worm) hypothetical protein 0.0013 0.0088 0.0207
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0053 0.0643 0.0882
Trichomonas vaginalis mercuric reductase, putative 0.02 0.2685 0.6423
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0053 0.0643 0.1538
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0187 0.0476
Treponema pallidum NADH oxidase 0.02 0.2685 0.5773
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.015 0.1993 0.7231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0351 0.034
Schistosoma mansoni sulfide quinone reductase 0.0053 0.0643 0.0632
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0351 0.034
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.015 0.1993 0.4485
Plasmodium vivax glutathione reductase, putative 0.0273 0.3701 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0162 0.2157 0.491
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0053 0.0643 0.0505
Brugia malayi Inositol-1 0.0039 0.0445 0.1175
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Loa Loa (eye worm) hypothetical protein 0.0053 0.0643 0.1711
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0053 0.0643 0.1538
Echinococcus granulosus lamin 0.0028 0.0299 0.0288
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0643 0.0505
Entamoeba histolytica thioredoxin reductase, putative 0.0053 0.0643 0.1141
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0053 0.0643 0.1711
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0061 0.0134
Echinococcus granulosus cpg binding protein 0.0032 0.0349 0.0338
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0053 0.0643 0.0872
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0095 0.0084
Mycobacterium ulcerans hypothetical protein 0.0053 0.0643 0.1824
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0497 0.6813 0.7345
Leishmania major dihydrolipoamide dehydrogenase, putative 0.02 0.2685 0.2769
Mycobacterium ulcerans hypothetical protein 0.0021 0.02 0.005
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0187 0.0096
Trichomonas vaginalis glutamate synthase, putative 0.0053 0.0643 0.1538
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.061 0.1623
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0053 0.0643 0.1824
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0643 0.0505
Echinococcus multilocularis microtubule associated protein 2 0.0726 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0717 0.1093
Echinococcus granulosus dna polymerase kappa 0.002 0.0187 0.0176
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0053 0.0643 0.0632
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0053 0.0643 0.1538
Echinococcus multilocularis dnaJ subfamily B 0.043 0.5888 0.5884
Echinococcus granulosus neuropeptide receptor A26 0.0487 0.667 0.6666
Mycobacterium tuberculosis Probable oxidoreductase 0.0309 0.4199 1
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0053 0.0643 0.1824
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0497 0.6813 0.737
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0081 0.1026 0.2016
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Treponema pallidum fructose-bisphosphate aldolase 0.0308 0.418 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0669 0.9209 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.02 0.2685 1
Brugia malayi intermediate filament protein 0.0028 0.0299 0.078
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0061 0.005
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0053 0.0643 0.0632
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0081 0.1026 0.2066
Plasmodium falciparum thioredoxin reductase 0.0273 0.3701 1
Echinococcus multilocularis neuropeptide s receptor 0.0487 0.667 0.6666
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0053 0.0643 0.0632
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.02 0.2685 0.6679
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.02 0.2685 0.6679
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0051 0.0039
Schistosoma mansoni microtubule-associated protein tau 0.0726 1 1
Trichomonas vaginalis glutamate synthase, putative 0.0053 0.0643 0.1538
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.2959 0.7988
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0669 0.9209 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0095 0.0084
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0187 0.0176
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.418 1
Trypanosoma cruzi trypanothione reductase, putative 0.02 0.2685 0.2769
Loa Loa (eye worm) hypothetical protein 0.0032 0.0351 0.0919
Leishmania major trypanothione reductase 0.0273 0.3701 0.3894
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0061 0.005
Trypanosoma brucei NADH dehydrogenase 0.0053 0.0643 0.0596
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0053 0.0643 0.1538
Schistosoma mansoni glutamate synthase 0.0053 0.0643 0.0632
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0053 0.0643 0.0505
Loa Loa (eye worm) hypothetical protein 0.0028 0.0299 0.078
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0445 0.0286
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.02 0.2685 0.2677
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0025 0.0014
Giardia lamblia Glutamate synthase 0.0053 0.0643 0.1141
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0351 0.034
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0409 0.0978
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Mycobacterium ulcerans glutamate synthase subunit beta 0.0053 0.0643 0.1824
Echinococcus multilocularis geminin 0.0178 0.2384 0.2375
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0162 0.2157 0.491
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0227
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0116 0.0283
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.418 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0061 0.005
Mycobacterium ulcerans flavoprotein disulfide reductase 0.02 0.2685 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0299 0.078
Toxoplasma gondii endonuclease IV APN 0.0081 0.1026 0.2016
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0566 0.7774 0.8409
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.02 0.2685 0.6968
Brugia malayi Pre-SET motif family protein 0.0032 0.0351 0.0919
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0053 0.0643 0.0632
Trypanosoma brucei trypanothione reductase 0.0273 0.3701 0.3953
Toxoplasma gondii NADPH-glutathione reductase 0.02 0.2685 0.6968
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Echinococcus multilocularis lamin dm0 0.0028 0.0299 0.0288
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.02 0.2685 0.7247
Echinococcus granulosus glutamate synthase 0.0053 0.0643 0.0632
Brugia malayi Thioredoxin reductase 0.0273 0.3701 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0053 0.0643 0.0632
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.02 0.2685 0.6968
Loa Loa (eye worm) hypothetical protein 0.0021 0.02 0.051
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0053 0.0643 0.1136
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.015 0.1993 0.4502
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0053 0.0643 0.0872
Schistosoma mansoni hypothetical protein 0.0053 0.0643 0.0632
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0061 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0497 0.6813 0.7345
Brugia malayi glutathione reductase 0.0273 0.3701 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0444 0.1173
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0273 0.3701 0.8757
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.418 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.3364 0.9088
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0325 0.0849
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0162 0.2157 0.491
Trypanosoma brucei hypothetical protein, conserved 0.0053 0.0643 0.0596
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0053 0.0643 0.0872
Schistosoma mansoni hypothetical protein 0.0051 0.061 0.06
Mycobacterium tuberculosis Probable reductase 0.0162 0.2157 0.491
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.0021 0.02 0.051
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0053 0.0643 0.1141
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0053 0.0643 0.0596
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0053 0.0643 0.1136
Mycobacterium ulcerans endonuclease IV 0.0081 0.1026 0.3359
Schistosoma mansoni inositol monophosphatase 0.0039 0.0445 0.0434
Toxoplasma gondii thioredoxin reductase 0.0273 0.3701 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0053 0.0643 0.0596
Schistosoma mansoni intermediate filament proteins 0.0028 0.0299 0.0288
Brugia malayi hypothetical protein 0.0249 0.3364 0.9088
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0053 0.0643 0.0596
Loa Loa (eye worm) hypothetical protein 0.0013 0.0088 0.0207
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0053 0.0643 0.1108
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0162 0.2157 0.491
Leishmania major hypothetical protein, conserved 0.0053 0.0643 0.0505
Trypanosoma brucei unspecified product 0.002 0.0187 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0187 0.0096
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0053 0.0643 0.1141
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0187 0.0096
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.02 0.2685 1
Mycobacterium ulcerans NADH dehydrogenase 0.0053 0.0643 0.1824
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0445 0.1065
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0147 0.1947 0.5247
Echinococcus multilocularis dna polymerase eta 0.002 0.0187 0.0176
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.02 0.0031
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0669 0.9209 1
Echinococcus multilocularis musashi 0.0028 0.0299 0.0288
Mycobacterium ulcerans ferredoxin reductase 0.0053 0.0643 0.1824
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0566 0.7774 0.8409
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.3364 0.3356
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0187 0.0176
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0053 0.0643 0.1824
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0053 0.0643 0.0505
Echinococcus multilocularis glutamate synthase 0.0053 0.0643 0.0632
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0389 0.0502
Echinococcus multilocularis lamin 0.0028 0.0299 0.0288
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0309 0.4199 1
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0053 0.0643 0.1108
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0445 0.0286
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0566 0.7774 0.8424
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0053 0.0643 0.1538
Schistosoma mansoni sulfide quinone reductase 0.0053 0.0643 0.0632
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0053 0.0643 0.0882
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0053 0.0643 0.1538
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.02 0.2685 0.2838
Onchocerca volvulus 0.0051 0.061 0.1292
Trypanosoma cruzi NADH dehydrogenase, putative 0.0053 0.0643 0.0505
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0051 0.0039
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0053 0.0643 0.0632
Brugia malayi glutamate synthase 0.0053 0.0643 0.1711
Schistosoma mansoni DNA polymerase eta 0.002 0.0187 0.0176
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0053 0.0643 0.1538
Onchocerca volvulus 0.0028 0.0299 0.0313

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 50 mg kg-1 Compound was tested for antifungal activity by measuring systemic candidosis in mice on 7th day upon single peroral administration ChEMBL. 9873441
ED50 (functional) = 50 mg kg-1 Compound was tested for antifungal activity by measuring systemic candidosis in mice on 7th day upon single peroral administration ChEMBL. 9873441
IC80 (functional) = 0.08 ug ml-1 Compound was tested for in vitro antifungal activity against Candida albicans (CY3003) ChEMBL. 9873441
IC80 (functional) = 0.08 ug ml-1 Compound was tested for in vitro antifungal activity against Candida albicans (CY3003) ChEMBL. 9873441
IC80 (functional) = 0.24 ug ml-1 Compound was tested for in vitro antifungal activity against Candida neoformans (CY1057) ChEMBL. 9873441
IC80 (functional) = 0.24 ug ml-1 Compound was tested for in vitro antifungal activity against Candida neoformans (CY1057) ChEMBL. 9873441
IC80 (functional) = 84 ug ml-1 Compound was tested in vitro for antifungal activity against Aspergillus fumigatus (CF1003) ChEMBL. 9873441

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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