Detailed information for compound 1119247

Basic information

Technical information
  • TDR Targets ID: 1119247
  • Name: N-[(2,5-dimethylphenyl)methyl]-1-[3-(trifluor omethyl)quinoxalin-2-yl]piperidine-4-carboxam ide
  • MW: 442.477 | Formula: C24H25F3N4O
  • H donors: 1 H acceptors: 3 LogP: 4.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F)NCc1cc(C)ccc1C
  • InChi: 1S/C24H25F3N4O/c1-15-7-8-16(2)18(13-15)14-28-23(32)17-9-11-31(12-10-17)22-21(24(25,26)27)29-19-5-3-4-6-20(19)30-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,28,32)
  • InChiKey: MFOZBILVHUNALW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2,5-dimethylphenyl)methyl]-1-[3-(trifluoromethyl)-2-quinoxalinyl]-4-piperidinecarboxamide
  • N-(2,5-dimethylbenzyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]isonipecotamide
  • F070-0565
  • NCGC00127923-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0045 0.0081
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0432 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0648 0.1485
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1272 0.1232
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0458 0.1169
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.1574 0.402
Schistosoma mansoni DNA polymerase eta 0.002 0.0458 0.0837
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0368
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0045 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0648 0.1655
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0045 0.0081
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0125 0.3916 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0432 0.0432
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0432 0.1103
Brugia malayi MH1 domain containing protein 0.001 0.0118 0.0118
Plasmodium falciparum thioredoxin reductase 0.0019 0.0411 0.1049
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.012 0.0076
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0411 0.234
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0368
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.3854 0.8946
Echinococcus granulosus muscleblind protein 0.031 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0648 0.1415
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.0045 0.0045
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0411 0.1049
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0045 0.0114
Brugia malayi Steroid receptor seven-up type 2 0.001 0.012 0.012
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0458 0.0415
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.012 0.022
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0411 0.1049
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0247 0.0247
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0458 0.0458
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0125 0.3916 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0045 0.0081
Plasmodium falciparum glutathione reductase 0.0019 0.0411 0.1049
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0411 0.0411
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Brugia malayi steroid hormone receptor 0.001 0.012 0.012
Schistosoma mansoni smad 0.001 0.0118 0.0215
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.012 0.0076
Echinococcus multilocularis Smad4 0.001 0.0118 0.0073
Plasmodium vivax acetyl-CoA synthetase, putative 0.0008 0.0045 0.0114
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0458 0.2607
Brugia malayi MH2 domain containing protein 0.001 0.0118 0.0118
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0045 0.0081
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0458 0.0837
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0648 0.1415
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.012 0.0076
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0045 0.0114
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.012 0.0076
Onchocerca volvulus 0.001 0.012 0.1256
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0411 0.8976
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0397 0.0901
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0008 0.0045 0.0255
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0458 0.1042
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0432 0.1103
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.012 0.0076
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Echinococcus granulosus FTZ F1 alpha 0.001 0.012 0.0076
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0.0045 0.0114
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.3854 0.8946
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.4308 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.1574 0.364
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0956 0.1748
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.0045 0.0114
Entamoeba histolytica hypothetical protein 0.0035 0.0956 0.2355
Onchocerca volvulus 0.0026 0.0648 1
Schistosoma mansoni hypothetical protein 0.0035 0.0956 0.1748
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1756 0.4483
Echinococcus multilocularis dna polymerase kappa 0.002 0.0458 0.0415
Brugia malayi Smad1 0.001 0.0118 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.012 0.012
Leishmania major DNA polymerase kappa, putative 0.002 0.0458 0.1169
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0125 0.3916 0.3916
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0648 0.0648
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1756 0.4062
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0648 0.0648
Brugia malayi MH1 domain containing protein 0.001 0.0118 0.0118
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0648 0.1558
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.012 0.022
Onchocerca volvulus Bile acid receptor homolog 0.001 0.012 0.1256
Brugia malayi nuclear hormone receptor 0.001 0.012 0.012
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0458 0.0837
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0045 0.0114
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0411 0.1049
Schistosoma mansoni smad1 5 8 and 0.001 0.0118 0.0215
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0008 0.0045 0.0255
Echinococcus granulosus dna polymerase kappa 0.002 0.0458 0.0415
Brugia malayi glutathione reductase 0.0054 0.1574 0.1574
Brugia malayi MH2 domain containing protein 0.001 0.0118 0.0118
Giardia lamblia DINP protein human, muc B family 0.002 0.0458 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0648 0.1558
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0411 0.1049
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.1574 0.1536
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.012 0.0076
Treponema pallidum NADH oxidase 0.0019 0.0411 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.1574 0.402
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0045 0.0081
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1756 0.3209
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.012 0.022
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0458 0.0458
Mycobacterium tuberculosis Probable reductase 0.0123 0.3854 0.8946
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0458 0.1169
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.012 0.1256
Schistosoma mansoni Smad4 0.001 0.0118 0.0215
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0045 0.0045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1272 0.2325
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.012 0.012
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0411 0.1049
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0118 0.0073
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0411 0.0946
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Leishmania major DNA polymerase eta, putative 0.002 0.0458 0.1169
Loa Loa (eye worm) hypothetical protein 0.0026 0.0648 0.0648
Entamoeba histolytica hypothetical protein 0.0035 0.0956 0.2355
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0125 0.3916 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0411 0.234
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.012 0.022
Trypanosoma brucei unspecified product 0.0014 0.0252 0.0643
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0125 0.3916 0.3916
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.012 0.012
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.012 0.012
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0956 0.0916
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0125 0.3916 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.012 0.0076
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.012 0.0076
Trypanosoma brucei unspecified product 0.002 0.0458 0.1169
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0411 0.0751
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1272 0.1272
Loa Loa (eye worm) hypothetical protein 0.0026 0.0648 0.0648
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.012 0.022
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0125 0.3916 0.3889
Schistosoma mansoni coup transcription factor 0.001 0.012 0.022
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.1574 0.1574
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0008 0.0045 0.0255
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0252 0.0643
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0125 0.3916 0.3889
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0458 0.1169
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0411 0.1049
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1272 0.1232
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0252 0.0643
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.012 0.012
Echinococcus multilocularis dna polymerase eta 0.002 0.0458 0.0415
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0125 0.3916 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Loa Loa (eye worm) hypothetical protein 0.0008 0.0045 0.0045
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.0045 0.0114
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0411 0.1049
Loa Loa (eye worm) hypothetical protein 0.0019 0.0432 0.0432
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0008 0.0045 0.0255
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.012 0.022
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0045 0.0081
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0008 0.0045 0.0255
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1756 0.1719
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0008 0.0045 0.0114
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0045 0.0045
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0458 0.1067
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.4308 1
Echinococcus multilocularis muscleblind protein 0.031 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.012 0.012
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.0045 0.0114
Brugia malayi MH2 domain containing protein 0.0144 0.4543 0.4543
Schistosoma mansoni smad1 5 8 and 0.001 0.0118 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.012 0.012
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0123 0.3854 0.8937
Loa Loa (eye worm) hypothetical protein 0.0019 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Toxoplasma gondii thioredoxin reductase 0.0054 0.1574 0.402
Loa Loa (eye worm) oxidoreductase 0.0008 0.0045 0.0045
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0019 0.0432 0.0432
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0648 0.1655
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0648 0.3691
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0458 0.1042
Echinococcus granulosus dna polymerase eta 0.002 0.0458 0.0415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1272 0.2325
Loa Loa (eye worm) steroid hormone receptor 0.001 0.012 0.012
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.4308 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.3854 0.8946
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0045 0.0114
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1756 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0008 0.0045 0.0255
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0648 0.3691
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0252 0.0643
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1272 0.1232
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.0045 0.0045
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0648 0.3691
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.012 0.012
Mycobacterium ulcerans acetyl-CoA synthetase 0.0008 0.0045 0.0255
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0045 0.0081
Trypanosoma brucei unspecified product 0.0014 0.0252 0.0643
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.012 0.012
Mycobacterium ulcerans hypothetical protein 0.0026 0.0648 0.3691
Brugia malayi nuclear receptor NHR-88 0.001 0.012 0.012
Echinococcus granulosus smad 0.001 0.0118 0.0073
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.3854 0.8946
Schistosoma mansoni thyroid hormone receptor 0.001 0.012 0.022
Plasmodium vivax glutathione reductase, putative 0.0054 0.1574 0.402
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0118 0.0073
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0045 0.0081
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.012 0.012
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0247 0.0247
Echinococcus multilocularis muscleblind protein 1 0.031 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.3854 0.8946
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Leishmania major trypanothione reductase 0.0054 0.1574 0.402
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.012 0.012
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.012 0.0076
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0458 0.1169
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0125 0.3916 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.012 0.0076
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.1574 0.1536
Plasmodium falciparum glutathione reductase 0.0054 0.1574 0.402
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0045 0.0081
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0125 0.3916 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0458 0.1169
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1756 0.3209
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.012 0.022
Loa Loa (eye worm) hypothetical protein 0.0026 0.0648 0.0648
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0458 0.0458
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0648 0.1485
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.012 0.012
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0045 0.0114
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0432 0.2461
Loa Loa (eye worm) glutathione reductase 0.0054 0.1574 0.1574
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.012 0.0076
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.012 0.012
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.012 0.012
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1272 0.1232
Entamoeba histolytica hypothetical protein 0.0035 0.0956 0.2355
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0397 0.0901
Brugia malayi Thioredoxin reductase 0.0054 0.1574 0.1574
Loa Loa (eye worm) hypothetical protein 0.031 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4543 0.4543
Toxoplasma gondii propionate-CoA ligase 0.0008 0.0045 0.0114
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0045 0.0114
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0648 0.3691
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0118 0.0073
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.012 0.012
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0045 0.0255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.012 0.012
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0411 0.1049
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.012 0.022
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Echinococcus multilocularis smad 0.001 0.0118 0.0073
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0125 0.3916 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0648 0.1655
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0648 0.0648
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.4308 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0125 0.3916 0.7158
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0648 0.3691
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0411 0.1049
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0397 0.0901
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0432 0.0982
Entamoeba histolytica hypothetical protein 0.0035 0.0956 0.2355
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1756 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0118 0.0118
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0008 0.0045 0.0255
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0411 0.1049
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0458 0.1169
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0411 0.1049
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0411 0.5
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0045 0.0045
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1756 0.4483
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0125 0.3916 0.3916
Loa Loa (eye worm) hypothetical protein 0.002 0.0458 0.0458
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0411 0.0933
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0411 0.234
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.012 0.1256
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.012 0.0076
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0458 0.1169
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0411 0.1049
Brugia malayi hypothetical protein 0.0035 0.0956 0.0956
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.012 0.012
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0458 0.1169
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1756 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1272 0.1272
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1272 0.2325
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0125 0.3916 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.012 0.012
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.012 0.0076
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0411 0.5
Loa Loa (eye worm) Smad1 0.001 0.0118 0.0118
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0045 0.0045
Echinococcus multilocularis FTZ F1 alpha 0.001 0.012 0.0076
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.012 0.0076
Loa Loa (eye worm) hypothetical protein 0.0019 0.0432 0.0432
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0648 0.3691
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.0045 0.0114
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0118 0.0118
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0008 0.0045 0.0255
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0458 0.1067
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0458 0.0415
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.012 0.012
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0411 0.1049
Schistosoma mansoni nuclear hormone receptor 0.001 0.012 0.022
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0045 0.0081
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0411 0.1049
Brugia malayi ecdysteroid receptor 0.001 0.012 0.012
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0118 0.0073
Echinococcus granulosus Smad4 0.001 0.0118 0.0073
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4543 0.4543
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1756 0.1719
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0648 0.1558
Loa Loa (eye worm) hypothetical protein 0.0008 0.0045 0.0045
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.012 0.012
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0125 0.3916 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0458 0.1067
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.012 0.022
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0045 0.0081
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0956 0.0916
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0458 0.1169
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0411 0.1049
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0411 0.1049
Trypanosoma brucei trypanothione reductase 0.0054 0.1574 0.402
Loa Loa (eye worm) hypothetical protein 0.031 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.012 0.012
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0411 0.0946
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.012
Plasmodium falciparum thioredoxin reductase 0.0054 0.1574 0.402
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0648 0.3691
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0125 0.3916 0.3916
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.012 0.012
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0458 0.2607
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0118 0.0215
Schistosoma mansoni smad1 5 8 and 0.001 0.0118 0.0215
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0045 0.0082
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0397 0.0901
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0458 0.1169
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.012 0.0076
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.012 0.0076
Schistosoma mansoni thyroid hormone receptor 0.001 0.012 0.022
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0458 0.1169

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

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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