Detailed information for compound 595935

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.684 | Formula: C21H12Cl3NO3
  • H donors: 1 H acceptors: 2 LogP: 5.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)C(O)(c1ccccc1)C(O2)c1nc2c(o1)c(Cl)ccc2Cl
  • InChi: 1S/C21H12Cl3NO3/c22-12-6-9-16-13(10-12)21(26,11-4-2-1-3-5-11)19(27-16)20-25-17-14(23)7-8-15(24)18(17)28-20/h1-10,19,26H
  • InChiKey: VOBKRGOZFWUAFL-UHFFFAOYSA-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 multilocularis guanine nucleotide binding protein G(s) subunit 0.0186 0.2486 0.2486
Schistosoma mansoni hypothetical protein 0.0035 0.0347 0.0347
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.013 0.118
Loa Loa (eye worm) hypothetical protein 0.0035 0.0347 0.0786
Schistosoma mansoni acetyl-CoA synthetase 0.0029 0.0249 0.0249
Schistosoma mansoni cpg binding protein 0.0028 0.0248 0.0248
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0372 0.0947
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.013 0.1858
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0029 0.0249 0.3235
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.1375 0.4142
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0029 0.0249 0.0547
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.008 0.0005
Plasmodium falciparum acyl-CoA synthetase 0.0073 0.0873 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.013 0.118
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0138 0.0312
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.013 0.0293
Onchocerca volvulus 0.0037 0.0372 0.1643
Echinococcus multilocularis RUN 0.002 0.0136 0.0136
Brugia malayi ecdysteroid receptor 0.0021 0.0138 0.0312
Onchocerca volvulus 0.0029 0.0249 0.079
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0579 0.1311
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0078 0.0768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0186 0.2486 0.5627
Echinococcus multilocularis cpg binding protein 0.003 0.0271 0.0271
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0097 0.1221 0.7494
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0138 0.0138
Plasmodium vivax acetyl-CoA synthetase, putative 0.0029 0.0249 0.2156
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0372 0.0372
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0078 0.0768
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.1375 0.4142
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Loa Loa (eye worm) hypothetical protein 0.0052 0.0579 0.1311
Loa Loa (eye worm) hypothetical protein 0.0037 0.0372 0.0842
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0138 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0323 0.4417 0.4417
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0138 0.0138
Schistosoma mansoni lipoxygenase 0.0123 0.1581 0.1581
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.008 0.008
Mycobacterium ulcerans lipase LipD 0.0037 0.0372 0.0807
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0516 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0016 0.0037
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.1375 0.4142
Onchocerca volvulus 0.0028 0.0248 0.0779
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0078
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0249 0.0564
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.013 0.0293
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0136 0.0136
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0138 0.0138
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0249 0.0564
Brugia malayi RNA binding protein 0.0323 0.4417 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0123 0.1581 0.1581
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0372 0.0807
Echinococcus granulosus cpg binding protein 0.003 0.0271 0.0271
Trichomonas vaginalis glutaminase, putative 0.0274 0.3721 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0323 0.4417 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0097 0.1221 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0249 0.0564
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0136 0.0136
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0029 0.0249 0.047
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0378 0.0378
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0078 0.0078
Entamoeba histolytica hypothetical protein 0.0038 0.0378 0.2281
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0372 0.6968
Loa Loa (eye worm) hypothetical protein 0.0047 0.0504 0.1142
Schistosoma mansoni cpg binding protein 0.003 0.0271 0.0271
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0029 0.0249 0.0547
Schistosoma mansoni hypothetical protein 0.002 0.0136 0.0136
Leishmania major DNA polymerase kappa, putative 0.002 0.013 0.0452
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0138 0.0312
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.013 0.118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0138 0.0138
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0138 0.0312
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0138 0.0138
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0029 0.0249 0.0547
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0699 0.0699
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0073 0.0873 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0138 0.0312
Brugia malayi AMP-binding enzyme family protein 0.0097 0.1221 0.2763
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0138 0.0138
Echinococcus multilocularis geminin 0.0169 0.2233 0.2233
Echinococcus multilocularis dna polymerase kappa 0.002 0.013 0.013
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0249 0.0547
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0138 0.0312
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.0504 0.9737
Schistosoma mansoni loxhd1 0.002 0.0136 0.0136
Plasmodium vivax glutathione reductase, putative 0.0047 0.0516 0.551
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0138 0.0312
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.008 0.0021
Echinococcus multilocularis dna polymerase eta 0.0047 0.0504 0.0504
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0029 0.0249 0.0547
Loa Loa (eye worm) hypothetical protein 0.0122 0.1574 0.3564
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0138 0.0015
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0138 0.0138
Brugia malayi beta-lactamase family protein 0.0037 0.0372 0.0842
Echinococcus granulosus geminin 0.0169 0.2233 0.2233
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0372 0.0842
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0138 0.0138
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0249 0.0547
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0097 0.1221 0.3136
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.013 0.013
Schistosoma mansoni coup transcription factor 0.0021 0.0138 0.0138
Loa Loa (eye worm) TAR-binding protein 0.0323 0.4417 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.013 0.0165
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0029 0.0249 0.0564
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0372 0.0807
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0249 0.0564
Onchocerca volvulus 0.0037 0.0372 0.1643
Loa Loa (eye worm) hypothetical protein 0.002 0.0136 0.0307
Loa Loa (eye worm) hypothetical protein 0.0097 0.1221 0.2763
Onchocerca volvulus Huntingtin homolog 0.0122 0.1574 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.008 0.0038
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0029 0.0249 0.1097
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0073 0.0873 0.2539
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.1375 0.4142
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0029 0.0249 0.0564
Echinococcus multilocularis microtubule associated protein 2 0.0717 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0078 0.0176
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0078 0.0768
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.008 0.0803
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0138 0.0138
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.008 0.008
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0138 0.0312
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0138 0.0138
Brugia malayi AMP-binding enzyme family protein 0.0097 0.1221 0.2763
Schistosoma mansoni hypothetical protein 0.0169 0.2233 0.2233
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0378 0.0378
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0078 0.0078
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0249 0.438
Schistosoma mansoni tar DNA-binding protein 0.0323 0.4417 0.4417
Loa Loa (eye worm) hypothetical protein 0.0051 0.0569 0.1288
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0138 0.0312
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0516 0.1399
Mycobacterium ulcerans glutaminase 0.0274 0.3721 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0138 0.0138
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0249 0.15
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.008 0.018
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0138 0.0312
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0249 0.0547
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0029 0.0249 0.047
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.008 0.0038
Onchocerca volvulus 0.0037 0.0372 0.1643
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0138 0.0138
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.3209 1
Loa Loa (eye worm) doublecortin family protein 0.002 0.0136 0.0307
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0029 0.0249 0.0547
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.013 0.1858
Echinococcus granulosus RUN 0.002 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0138 0.0138
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0347 0.0786
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0372 0.0807
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0078
Treponema pallidum NADH oxidase 0.0016 0.0078 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0138 0.0312
Toxoplasma gondii ABC1 family protein 0.0037 0.0372 0.5553
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0138 0.0312
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0029 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0372 0.0807
Leishmania major hypothetical protein, conserved 0.0037 0.0372 0.2575
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0136 0.0727
Echinococcus granulosus tar DNA binding protein 0.0323 0.4417 0.4417
Loa Loa (eye worm) hypothetical protein 0.0073 0.0873 0.1976
Loa Loa (eye worm) hypothetical protein 0.0122 0.1574 0.3564
Echinococcus multilocularis tar DNA binding protein 0.0323 0.4417 0.4417
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0138 0.0312
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0193 0.0368
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.008 0.008
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0136 0.0136
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0249 0.0547
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Onchocerca volvulus Huntingtin homolog 0.0122 0.1574 1
Onchocerca volvulus 0.0029 0.0249 0.079
Mycobacterium ulcerans acyl-CoA synthetase 0.0097 0.1221 0.3136
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0097 0.1221 0.3136
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0817 0.236
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0078 0.0768
Mycobacterium tuberculosis Conserved protein 0.0037 0.0372 0.0939
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.1375 0.4142
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.1375 0.8683
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0078 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0138 0.0312
Leishmania major 4-coumarate:coa ligase-like protein 0.0097 0.1221 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0078 0.0078
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.0504 0.9757
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.013 0.0452
Loa Loa (eye worm) hypothetical protein 0.0073 0.0873 0.1976
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0078 0.0078
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0138 0.0138
Echinococcus granulosus GPCR family 2 0.0016 0.0078 0.0078
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0029 0.0249 0.047
Echinococcus granulosus dna polymerase eta 0.0047 0.0504 0.0504
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0029 0.0249 0.0249
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0608 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0138 0.0312
Entamoeba histolytica hypothetical protein 0.0038 0.0378 0.2281
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0579 0.1311
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.013 0.013
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0249 0.3913
Leishmania major DNA polymerase eta, putative 0.0047 0.0504 0.3733
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0372 0.0939
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0372 0.0807
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0138 0.0138
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0078 0.0176
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0078 0.0176
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0138 0.0138
Plasmodium falciparum thioredoxin reductase 0.0047 0.0516 0.551
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.0873 0.2182
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0817 0.236
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0249 0.047
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.1545 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0378 0.0378
Leishmania major DNA polymerase eta, putative 0.0033 0.0309 0.2019
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0029 0.0249 0.438
Schistosoma mansoni tar DNA-binding protein 0.0323 0.4417 0.4417
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0097 0.1221 0.3649
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.013 0.0142
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0138 0.0312
Brugia malayi beta-lactamase 0.0037 0.0372 0.0842
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0138 0.0312
Schistosoma mansoni tar DNA-binding protein 0.0323 0.4417 0.4417
Loa Loa (eye worm) RNA binding protein 0.0323 0.4417 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0186 0.2486 0.2486
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0309 0.4355
Entamoeba histolytica acyl-coA synthetase, putative 0.0097 0.1221 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0372 0.0939
Giardia lamblia DINP protein human, muc B family 0.002 0.013 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0078 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0372 0.0842
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0029 0.0249 0.2156
Schistosoma mansoni glutaminase 0.0274 0.3721 0.3721
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0504 0.1142
Echinococcus granulosus tumor protein p63 0.0349 0.4786 0.4786
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0372 0.0842
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0138 0.0138
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0372 0.0939
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0097 0.1221 0.7494
Loa Loa (eye worm) hypothetical protein 0.0037 0.0372 0.0842
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0078 0.0176
Plasmodium vivax acyl-CoA synthetase, putative 0.0073 0.0873 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.008 0.008
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0136 0.0727
Mycobacterium ulcerans beta-lactamase 0.0037 0.0372 0.0807
Mycobacterium ulcerans hypothetical protein 0.0037 0.0372 0.0807
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0372 0.37
Onchocerca volvulus 0.0021 0.0138 0.0015
Mycobacterium tuberculosis Conserved protein 0.0037 0.0372 0.0939
Loa Loa (eye worm) glutathione reductase 0.0047 0.0516 0.1168
Brugia malayi glutathione reductase 0.0047 0.0516 0.1168
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0138 0.0138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0186 0.2486 0.2486
Mycobacterium ulcerans DNA polymerase IV 0.002 0.013 0.0142
Entamoeba histolytica acyl-CoA synthetase, putative 0.0097 0.1221 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0097 0.1221 0.3136
Loa Loa (eye worm) hypothetical protein 0.0097 0.1221 0.2763
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0138 0.0312
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0138 0.0138
Trypanosoma brucei trypanothione reductase 0.0047 0.0516 1
Brugia malayi hypothetical protein 0.002 0.0136 0.0307
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0138 0.0015
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0138 0.0138
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0097 0.1221 0.3136
Onchocerca volvulus 0.0029 0.0249 0.079
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.008 0.0803
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0249 0.0564
Plasmodium falciparum glutathione reductase 0.0047 0.0516 0.551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0186 0.2486 0.2486
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0516 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0179 0.2384 0.6331
Brugia malayi AMP-binding enzyme family protein 0.0097 0.1221 0.2763
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.013 0.1858
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.013 0.118
Mycobacterium ulcerans hypothetical protein 0.0097 0.1221 0.3136
Brugia malayi nuclear hormone receptor 0.0021 0.0138 0.0312
Entamoeba histolytica hypothetical protein 0.0038 0.0378 0.2281
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0138 0.0312
Loa Loa (eye worm) hypothetical protein 0.0037 0.0372 0.0842
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0078
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0016 0.0037
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0029 0.0249 0.3235
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0516 0.551
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0372 0.0939
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0184 0.2456 0.5559
Schistosoma mansoni DNA polymerase eta 0.0047 0.0504 0.0504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0186 0.2486 0.2486
Loa Loa (eye worm) hypothetical protein 0.002 0.0136 0.0307
Loa Loa (eye worm) hypothetical protein 0.0037 0.0372 0.0842
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0029 0.0249 0.047
Loa Loa (eye worm) hypothetical protein 0.0037 0.0372 0.0842
Brugia malayi CXXC zinc finger family protein 0.0028 0.0248 0.0561
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0029 0.0249 0.0547
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0138 0.0312
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0138 0.0312
Mycobacterium ulcerans acetyl-CoA synthetase 0.0029 0.0249 0.047
Brugia malayi glutaminase DH11.1 0.0274 0.3721 0.8424
Brugia malayi hypothetical protein 0.002 0.0136 0.0307
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.008 0.0015
Toxoplasma gondii thioredoxin reductase 0.0047 0.0516 0.8269
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0029 0.0249 0.0547
Schistosoma mansoni microtubule-associated protein tau 0.0717 1 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0249 0.047
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0138 0.0138
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0029 0.0249 0.047
Brugia malayi nuclear receptor NHR-88 0.0021 0.0138 0.0312
Entamoeba histolytica hypothetical protein 0.0038 0.0378 0.2281
Brugia malayi hypothetical protein 0.0038 0.0378 0.0857
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0138 0.0015
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0372 0.0372
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0569 0.0569
Brugia malayi steroid hormone receptor 0.0021 0.0138 0.0312
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0249 0.3913
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0249 0.047
Loa Loa (eye worm) glutaminase 2 0.0274 0.3721 0.8424
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0309 0.5266
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0138 0.0138
Schistosoma mansoni rab6-interacting 0.002 0.0136 0.0136
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.008 0.008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0078 0.0078
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0186 0.2486 0.2486
Leishmania major trypanothione reductase 0.0047 0.0516 0.3834
Onchocerca volvulus 0.0051 0.0569 0.3011
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0516 0.1168
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0078 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0138 0.0312
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.008 0.0032
Loa Loa (eye worm) hypothetical protein 0.0073 0.0873 0.1976
Onchocerca volvulus 0.0029 0.0249 0.079
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0372 0.0939
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.013 0.0142
Schistosoma mansoni hypothetical protein 0.0038 0.0378 0.0378
Mycobacterium leprae Probable lipase LipE 0.0037 0.0372 0.0947
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0817 0.236
Schistosoma mansoni tar DNA-binding protein 0.0323 0.4417 0.4417
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.013 0.013
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0029 0.0249 0.047
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.013 0.013
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0372 0.0939
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0138 0.0312
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0372 0.0807
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0372 0.6716
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.1545 0.4686
Loa Loa (eye worm) oxidoreductase 0.0029 0.0249 0.0564
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0138 0.0138
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Echinococcus multilocularis GPCR, family 2 0.0016 0.0078 0.0078
Brugia malayi TAR-binding protein 0.0323 0.4417 1
Loa Loa (eye worm) glutaminase 0.0274 0.3721 0.8424
Mycobacterium tuberculosis Probable reductase 0.0108 0.1375 0.4142
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0138 0.0312
Brugia malayi RNA recognition motif domain containing protein 0.0323 0.4417 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0097 0.1221 0.3136
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0372 0.0372
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.008 0.008
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0249 0.15
Loa Loa (eye worm) hypothetical protein 0.0097 0.1221 0.2763
Trypanosoma brucei unspecified product 0.002 0.013 0.1858
Loa Loa (eye worm) beta-lactamase 0.0037 0.0372 0.0842
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.008 0.0021
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0138 0.0138
Leishmania major 4-coumarate:coa ligase-like protein 0.0097 0.1221 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0249 0.0564
Brugia malayi hypothetical protein 0.0122 0.1574 0.3564
Brugia malayi Thioredoxin reductase 0.0047 0.0516 0.1168
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.013 0.0165
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0136 0.0136
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0249 0.15
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.1545 0.4686
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0186 0.2486 0.5627
Trichomonas vaginalis esterase, putative 0.0037 0.0372 0.0807
Brugia malayi Doublecortin family protein 0.002 0.0136 0.0307
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0249 0.0564
Schistosoma mansoni hypothetical protein 0.0016 0.0078 0.0078
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0138 0.0138
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.1545 0.4686
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Brugia malayi isocitrate dehydrogenase 0.0017 0.008 0.018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0186 0.2486 0.2486
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0516 0.0516
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.013 0.1858
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0136 0.0136
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0138 0.0138
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0073 0.0873 0.1976
Schistosoma mansoni polycystin 1-related 0.002 0.0136 0.0136
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0249 0.3913
Echinococcus multilocularis tumor protein p63 0.0349 0.4786 0.4786
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0249 0.3913
Brugia malayi Isocitrate dehydrogenase 0.0017 0.008 0.018
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0078 0.0176
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0097 0.1221 0.3136
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0123 0.1581 0.1581
Schistosoma mansoni rab6-interacting 0.002 0.0136 0.0136
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0248 0.0561
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0817 0.236
Leishmania major 4-coumarate:coa ligase-like protein 0.0097 0.1221 1
Toxoplasma gondii propionate-CoA ligase 0.0029 0.0249 0.3235
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Schistosoma mansoni cpg binding protein 0.003 0.0271 0.0271
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0078 0.0078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0579 0.1311
Schistosoma mansoni lipoxygenase 0.0086 0.1059 0.1059
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0138 0.0138
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0372 0.0807
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.008 0.008
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.008 0.0032
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0249 0.047
Loa Loa (eye worm) hypothetical protein 0.0184 0.2456 0.5559
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0138 0.0312
Loa Loa (eye worm) hypothetical protein 0.0073 0.0873 0.1976
Mycobacterium ulcerans DNA polymerase IV 0.002 0.013 0.0142
Schistosoma mansoni hypothetical protein 0.0169 0.2233 0.2233
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0372 0.0939
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0029 0.0249 0.047
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0372 0.0939
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0097 0.1221 0.3649
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0138 0.0138
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0249 0.0564
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0372 0.0372
Onchocerca volvulus 0.0097 0.1221 0.7542
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0372 0.6716
Echinococcus granulosus dna polymerase kappa 0.002 0.013 0.013
Brugia malayi beta-lactamase family protein 0.0037 0.0372 0.0842

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 7 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 89 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 98 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 1.48 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -6 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 7 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 89 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.52 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.30086 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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