Detailed information for compound 954742

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 624.716 | Formula: C32H48O12
  • H donors: 6 H acceptors: 9 LogP: 2.61 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCC(CC(=O)O[C@H]1[C@H](O[C@@H]2CC(C(=O)O)(C(=O)O)[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)O[C@@H]([C@H]([C@@H]1O)O)CO)C
  • InChi: 1S/C32H48O12/c1-5-15(2)10-22(34)44-25-24(36)23(35)19(14-33)43-27(25)42-18-12-30(4)20-7-6-17-11-31(20,26(37)16(17)3)9-8-21(30)32(13-18,28(38)39)29(40)41/h15,17-21,23-27,33,35-37H,3,5-14H2,1-2,4H3,(H,38,39)(H,40,41)/t15?,17-,18+,19-,20+,21+,23-,24+,25-,26+,27-,30+,31-/m1/s1
  • InChiKey: YYXBQTNOHYFYDD-NSVPVFRKSA-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
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0034 0.094
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0008 0.005
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0104 0.0104
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0102 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0034 0.0034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0104 0.0104
Giardia lamblia NADH oxidase lateral transfer candidate 0.0031 0.0102 0.0799
Schistosoma mansoni nuclear hormone receptor 0.001 0.0008 0.0008
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.0942 0.0942
Echinococcus granulosus acetylcholinesterase 0.2278 1 1
Echinococcus granulosus FTZ F1 alpha 0.001 0.0008 0.0008
Brugia malayi ecdysteroid receptor 0.001 0.0008 0.0008
Mycobacterium ulcerans hypothetical protein 0.0024 0.007 0.042
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0043 0.1176
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0003 0.0017
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Echinococcus granulosus acetylcholinesterase 0.2278 1 1
Onchocerca volvulus 0.0385 0.1659 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.1276 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.005 0.1372
Onchocerca volvulus 0.0385 0.1659 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0008 0.0008
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0207 0.0877 0.5283
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0003 0.0003
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0345 0.1482 0.1482
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Echinococcus multilocularis neuroligin 0.0385 0.1659 0.1659
Trichomonas vaginalis set domain proteins, putative 0.0253 0.1077 0.6495
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0034 0.0206
Plasmodium falciparum thioredoxin reductase 0.0091 0.0364 1
Loa Loa (eye worm) hypothetical protein 0.002 0.005 0.005
Loa Loa (eye worm) TK/INSR protein kinase 0.0096 0.0386 0.0386
Echinococcus multilocularis epidermal growth factor receptor 0.0229 0.0974 0.0974
Brugia malayi nuclear receptor NHR-88 0.001 0.0008 0.0008
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0024 0.007 0.007
Brugia malayi DIX domain containing protein 0.0009 0.0003 0.0003
Brugia malayi N-terminal motif family protein 0.0183 0.077 0.077
Plasmodium vivax glutathione reductase, putative 0.0091 0.0364 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Echinococcus multilocularis 0.019 0.0798 0.0798
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.007 0.0712
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0236 0.6491
Loa Loa (eye worm) hypothetical protein 0.0385 0.1659 0.1659
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Leishmania major DNA polymerase eta, putative 0.002 0.005 0.1372
Schistosoma mansoni coup transcription factor 0.001 0.0008 0.0008
Onchocerca volvulus 0.0253 0.1077 0.6495
Trypanosoma brucei unspecified product 0.0014 0.0023 0.0632
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0102 0.2803
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0104 0.0104
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.007 0.042
Brugia malayi hypothetical protein 0.0009 0.0003 0.0003
Echinococcus granulosus neuroligin 0.0385 0.1659 0.1659
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0065 0.0065
Echinococcus multilocularis carboxylesterase 5A 0.2278 1 1
Echinococcus multilocularis geminin 0.0345 0.1482 0.1482
Schistosoma mansoni tyrosine kinase 0.0228 0.0969 0.0969
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.007 0.042
Toxoplasma gondii hypothetical protein 0.0009 0.0003 0.008
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0008 0.0008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0008 0.0008
Brugia malayi Carboxylesterase family protein 0.0385 0.1659 0.1659
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0034 0.094
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0034 0.0034
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.0605 0.3645
Loa Loa (eye worm) carboxylesterase 0.0385 0.1659 0.1659
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0034 0.094
Trypanosoma cruzi trypanothione reductase, putative 0.0091 0.0364 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.09 0.393 0.393
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.007 0.042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0236 0.1422
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0003 0.0003
Trichomonas vaginalis glutathione reductase, putative 0.0031 0.0102 0.0614
Schistosoma mansoni dishevelled 0.0009 0.0003 0.0003
Echinococcus multilocularis dna polymerase kappa 0.002 0.005 0.005
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0043 0.1176
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0008 0.0008
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.005 0.1372
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0008 0.0008
Brugia malayi AMP-binding enzyme family protein 0.0024 0.007 0.007
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0008 0.0008
Schistosoma mansoni dep domain containing protein 0.0009 0.0003 0.0003
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0003 0.0003
Echinococcus multilocularis para nitrobenzyl esterase 0.0385 0.1659 0.1659
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0008 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0236 0.6491
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0236 0.1422
Giardia lamblia DINP protein human, muc B family 0.002 0.005 0.0391
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0008 0.0008
Loa Loa (eye worm) TK/EGFR protein kinase 0.031 0.133 0.133
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.007 0.0546
Schistosoma mansoni thyroid hormone receptor 0.001 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0009 0.0003 0.0003
Trypanosoma brucei unspecified product 0.002 0.005 0.1372
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0008 0.0008
Echinococcus granulosus insulin receptor 0.0096 0.0386 0.0386
Loa Loa (eye worm) hypothetical protein 0.0032 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0024 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Schistosoma mansoni thyroid hormone receptor 0.001 0.0008 0.0008
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0034 0.094
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0008 0.0008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Echinococcus granulosus epidermal growth factor receptor 0.0229 0.0974 0.0974
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0034 0.0034
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0207 0.0877 0.8958
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.005 0.1372
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0008 0.0008
Plasmodium vivax thioredoxin reductase, putative 0.0091 0.0364 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0385 0.1659 0.1659
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0008 0.0008
Leishmania major trypanothione reductase 0.0091 0.0364 1
Onchocerca volvulus 0.0385 0.1659 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.005 0.005
Brugia malayi hypothetical protein 0.0009 0.0003 0.0003
Schistosoma mansoni tyrosine kinase 0.0096 0.0386 0.0386
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0008 0.0008
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0102 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0102 0.2803
Loa Loa (eye worm) carboxylesterase 0.0385 0.1659 0.1659
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0008 0.0008
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0102 0.2803
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0008 0.0008
Schistosoma mansoni acetylcholinesterase 0.0385 0.1659 0.1659
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.005 0.1372
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0008 0.0008
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.005 0.0391
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0102 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0023 0.0632
Brugia malayi Pre-SET motif family protein 0.0032 0.0104 0.0104
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0008 0.0008
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.007 0.0712
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0385 0.1659 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0003 0.0003
Schistosoma mansoni tyrosine kinase 0.0229 0.0974 0.0974
Mycobacterium ulcerans DNA polymerase IV 0.002 0.005 0.0301
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0385 0.1659 0.1659
Loa Loa (eye worm) hypothetical protein 0.0024 0.007 0.007
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0008 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.0605 0.618
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0008 0.0008
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.077 0.4644
Mycobacterium tuberculosis Carboxylesterase LipT 0.0385 0.1659 1
Brugia malayi steroid hormone receptor 0.001 0.0008 0.0008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0102 0.0102
Brugia malayi isocitrate dehydrogenase 0.0016 0.0034 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Brugia malayi Carboxylesterase family protein 0.0385 0.1659 0.1659
Schistosoma mansoni dishevelled 0.0009 0.0003 0.0003
Echinococcus multilocularis microtubule associated protein 2 0.0704 0.3064 0.3064
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0232
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0232
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.005 0.0301
Schistosoma mansoni hypothetical protein 0.0345 0.1482 0.1482
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0104 0.0104
Brugia malayi Thioredoxin reductase 0.0091 0.0364 0.0364
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.007 0.042
Echinococcus multilocularis BC026374 protein (S09 family) 0.0385 0.1659 0.1659
Brugia malayi Carboxylesterase family protein 0.2278 1 1
Loa Loa (eye worm) hypothetical protein 0.2278 1 1
Brugia malayi hypothetical protein 0.0385 0.1659 0.1659
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0024 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0009 0.0003 0.0003
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.007 0.042
Trypanosoma brucei unspecified product 0.0014 0.0023 0.0632
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0008 0.0008
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.005 0.1372
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0003 0.0003
Loa Loa (eye worm) glutathione reductase 0.0091 0.0364 0.0364
Mycobacterium ulcerans carboxylesterase, LipT 0.0385 0.1659 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0008 0.0008
Brugia malayi nuclear hormone receptor 0.001 0.0008 0.0008
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0008 0.0008
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0385 0.1659 0.1659
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0003 0.0003
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0034 0.0034
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.005 0.1372
Schistosoma mansoni tyrosine kinase 0.0228 0.0969 0.0969
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0008 0.0008
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0008 0.005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.007 0.042
Echinococcus multilocularis acetylcholinesterase 0.2278 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0229 0.0974 0.0974
Schistosoma mansoni neuroligin 3 (S09 family) 0.0385 0.1659 0.1659
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0008 0.0008
Echinococcus granulosus epidermal growth factor receptor 0.031 0.133 0.133
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0207 0.0877 0.5283
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.005 0.005
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0183 0.077 0.077
Schistosoma mansoni tyrosine kinase 0.0229 0.0974 0.0974
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0104 0.0104
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.007 0.042
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.005 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0385 0.1659 0.1659
Onchocerca volvulus 0.0032 0.0104 0.0624
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.005 0.1372
Loa Loa (eye worm) hypothetical protein 0.0385 0.1659 0.1659
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.005 0.0301
Mycobacterium tuberculosis Probable reductase 0.0207 0.0877 0.5283
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0034 0.094
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.005 0.1372
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0034 0.0034
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0102 0.0102
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0003 0.0003
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0102 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0008 0.0008
Brugia malayi Furin-like cysteine rich region family protein 0.031 0.133 0.133
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.0102 0.0614
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0009 0.0003 0.0003
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0003 0.0003
Brugia malayi AMP-binding enzyme family protein 0.0024 0.007 0.007
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0102 0.2803
Schistosoma mansoni tyrosine kinase 0.0228 0.0969 0.0969
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0043 0.4196
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0008 0.0008
Plasmodium vivax SET domain protein, putative 0.0032 0.0104 0.285
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0008 0.0008
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0236 0.0236
Echinococcus granulosus microtubule associated protein 2 0.0704 0.3064 0.3064
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Mycobacterium tuberculosis Probable dehydrogenase 0.0207 0.0877 0.5283
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.007 0.042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0008 0.0008
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0102 0.2803
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0034 0.094
Trichomonas vaginalis spcc417.12 protein, putative 0.0385 0.1659 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0104 0.285
Onchocerca volvulus 0.0385 0.1659 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0043 0.0258
Onchocerca volvulus 0.0009 0.0003 0.0017
Loa Loa (eye worm) hypothetical protein 0.0385 0.1659 0.1659
Loa Loa (eye worm) carboxylesterase 0.2278 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.007 0.1917
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0003 0.0003
Echinococcus granulosus geminin 0.0345 0.1482 0.1482
Treponema pallidum fructose-bisphosphate aldolase 0.0298 0.1276 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2278 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0102 0.0614
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0008
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.005 0.005
Mycobacterium tuberculosis Probable oxidoreductase 0.023 0.0978 0.5897
Plasmodium falciparum thioredoxin reductase 0.0031 0.0102 0.2803
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0008 0.0008
Echinococcus granulosus BC026374 protein S09 family 0.0385 0.1659 0.1659
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.007 0.1917
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.007 0.042
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0008 0.0008
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.005 0.1372
Toxoplasma gondii thioredoxin reductase 0.0091 0.0364 1
Schistosoma mansoni gliotactin 0.0385 0.1659 0.1659
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0008 0.0008
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0043 0.0258
Loa Loa (eye worm) hypothetical protein 0.0385 0.1659 0.1659
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0008 0.0008
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0236 0.1422
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0003 0.0003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0034 0.094
Echinococcus multilocularis epidermal growth factor receptor 0.031 0.133 0.133
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0008 0.0008
Mycobacterium ulcerans DNA polymerase IV 0.002 0.005 0.0301
Schistosoma mansoni tyrosine kinase 0.0096 0.0386 0.0386
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0102 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0023 0.0632
Echinococcus multilocularis insulin receptor 0.0096 0.0386 0.0386
Brugia malayi Carboxylesterase family protein 0.0385 0.1659 0.1659
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0102 0.2803
Echinococcus multilocularis dna polymerase eta 0.002 0.005 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0008 0.005
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0003 0.0003
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.005 0.1372
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0385 0.1659 1
Trichomonas vaginalis mercuric reductase, putative 0.0031 0.0102 0.0614
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0102 0.2803
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0003 0.0003
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0008 0.0008
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0008 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.005 0.1372
Trypanosoma brucei trypanothione reductase 0.0091 0.0364 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.007 0.0546
Echinococcus granulosus carboxylesterase 5A 0.2278 1 1
Echinococcus granulosus dna polymerase eta 0.002 0.005 0.005
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0008 0.0008
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.005 0.005
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0385 0.1659 0.1659
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0236 0.0236
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0034 0.094
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0008 0.0008
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.0605 0.3645
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0102 0.0102
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0034 0.0034
Echinococcus granulosus dna polymerase kappa 0.002 0.005 0.005
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0236 0.1422
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.005 0.0301
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.007 0.1917
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0034 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0008 0.0008
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0236 0.0236
Brugia malayi Carboxylesterase family protein 0.0385 0.1659 0.1659
Echinococcus granulosus thioredoxin glutathione reductase 0.0091 0.0366 0.0366
Brugia malayi Protein kinase domain containing protein 0.0096 0.0386 0.0386
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0385 0.1659 0.1659
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0102 0.0614
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0003 0.0003
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0034 0.094
Plasmodium falciparum glutathione reductase 0.0031 0.0102 0.2803
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0104 0.0104
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.005 0.005
Onchocerca volvulus 0.001 0.0008 0.005
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0207 0.0877 0.5283
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0096 0.0386 0.0386
Brugia malayi Pre-SET motif family protein 0.0222 0.0942 0.0942
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0034 0.0034
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0102 0.2803
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0003 0.0003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0008 0.0008
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0008 0.0008
Schistosoma mansoni microtubule-associated protein tau 0.0704 0.3064 0.3064
Onchocerca volvulus 0.0385 0.1659 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.007 0.0546
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Leishmania major DNA polymerase kappa, putative 0.002 0.005 0.1372
Loa Loa (eye worm) acetylcholinesterase 1 0.2278 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0102 0.2803
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0236 0.0236
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0003 0.0003
Echinococcus granulosus para nitrobenzyl esterase 0.0385 0.1659 0.1659
Schistosoma mansoni DNA polymerase eta 0.002 0.005 0.005
Treponema pallidum NADH oxidase 0.0031 0.0102 0.0799
Loa Loa (eye worm) hypothetical protein 0.0385 0.1659 0.1659
Loa Loa (eye worm) hypothetical protein 0.2278 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0102 0.0102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1276 0.7693
Onchocerca volvulus 0.0024 0.007 0.042
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0207 0.0877 0.5283
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0003 0.0003
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0008 0.0008
Brugia malayi glutathione reductase 0.0091 0.0364 0.0364
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Echinococcus multilocularis acetylcholinesterase 0.2278 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.1276 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0102 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0102 0.2803
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0008 0.0008
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0102 0.0614
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0102 0.2803
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0003 0.0003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0034 0.0034
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0102 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0102 0.2803
Schistosoma mansoni tyrosine kinase 0.031 0.133 0.133
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.023 0.0978 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.023 0.0978 0.5897
Plasmodium falciparum glutathione reductase 0.0091 0.0364 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0038 0.0232
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0091 0.0364 0.2191
Echinococcus multilocularis thioredoxin glutathione reductase 0.0091 0.0366 0.0366
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0008 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0023 0.0632
Schistosoma mansoni BC026374 protein (S09 family) 0.0385 0.1659 0.1659
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0065 0.0065
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0096 0.0386 0.0386
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.005 0.005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0385 0.1659 0.1659
Loa Loa (eye worm) thioredoxin reductase 0.0091 0.0364 0.0364
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0385 0.1659 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0043 0.0043
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0008 0.0008
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0008 0.0008
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.023 0.0978 0.5897

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in mouse at 3 mg/kg, ip ChEMBL. 2380717

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

No literature references available for this target.

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