Detailed information for compound 1637357

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.423 | Formula: C22H23NO3
  • H donors: 1 H acceptors: 2 LogP: 3.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/C(=N\c1ccccc1OC)/C1=C(O)CC(CC1=O)c1ccccc1
  • InChi: 1S/C22H23NO3/c1-3-17(23-18-11-7-8-12-21(18)26-2)22-19(24)13-16(14-20(22)25)15-9-5-4-6-10-15/h4-12,16,24H,3,13-14H2,1-2H3/b23-17+
  • InChiKey: QRBCKJATBNSBEN-HAVVHWLPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Brugia malayi hypothetical protein 0.0365 0.0687 0.1729
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0127 0.0622
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0194 0.0194
Mycobacterium tuberculosis Probable esterase LipL 0.0154 0.0266 0.1345
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0067 0.1875
Schistosoma mansoni hypothetical protein 0.0127 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.0047 0.0047
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 0.0047 0.0047
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0025 0.0063
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0149 0.0376
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0025 0.0025
Schistosoma mansoni RAR-like nuclear receptor 0.0044 0.0047 0.0047
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0033 0.0025 0.0025
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0105 0.0503
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 0.0047 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0044 0.0047 0.0118
Entamoeba histolytica heat shock protein 90, putative 0.0031 0.0021 0.0366
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0146 0.072
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0127 0.0212 0.0212
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 0.0047 0.0047
Brugia malayi nuclear receptor NHR-88 0.0044 0.0047 0.0118
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0012 0.0019
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 0.0047 0.0047
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0005 0.0013
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0025 0.0089
Schistosoma mansoni tar DNA-binding protein 0.0269 0.0496 0.0496
Schistosoma mansoni tar DNA-binding protein 0.0269 0.0496 0.0496
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0151 0.026 0.026
Mycobacterium leprae conserved hypothetical protein 0.0154 0.0266 1
Echinococcus multilocularis heat shock protein 0.0031 0.0021 0.0021
Echinococcus granulosus heat shock protein 90 0.0031 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0024 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0391 0.074 0.074
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0012 0.0142
Loa Loa (eye worm) hypothetical protein 0.0106 0.017 0.017
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0012 0.0142
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Echinococcus granulosus heat shock protein 0.0031 0.0021 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 0.0047 0.0047
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0154 0.0266 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0025 0.0661
Schistosoma mansoni endoplasmin 0.0031 0.0021 0.0021
Brugia malayi hypothetical protein 0.0151 0.026 0.0655
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.017 0.0426
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0127 0.0212 0.0212
Trichomonas vaginalis penicillin-binding protein, putative 0.0154 0.0266 0.1499
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0047 0.0047
Trichomonas vaginalis esterase, putative 0.0154 0.0266 0.1499
Mycobacterium tuberculosis Conserved protein 0.0154 0.0266 0.1345
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.0005 0.0005
Echinococcus granulosus heat shock protein 90 0.0025 0.0008 0.0008
Brugia malayi Endoplasmin precursor 0.0031 0.0021 0.0052
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Entamoeba histolytica hypothetical protein 0.0151 0.026 1
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0025 0.0174
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0012 0.0142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 0.0047 0.0047
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0025 0.0661
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0154 0.0266 0.1345
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0012 0.0142
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0067 0.1875
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0985 0.1926 1
Brugia malayi nuclear receptor RXR 0.0024 0.0005 0.0013
Schistosoma mansoni heat shock protein 0.0031 0.0021 0.0021
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0025 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.0212 0.1182
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0269 0.0496 0.0496
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 0.0047 0.0118
Loa Loa (eye worm) hypothetical protein 0.0154 0.0266 0.0266
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0529 0.0529
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0025 0.0025
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0886 0.1729 1
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0097 0.0152 0.5656
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0058 0.0074 0.0074
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0127 0.0212 0.0212
Schistosoma mansoni transcription factor LCR-F1 0.0151 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0154 0.0266 0.0266
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.0212 0.1182
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0149 0.0149
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 0.0047 0.0047
Giardia lamblia Heat shock protein HSP 90-alpha 0.0031 0.0021 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0154 0.0266 0.0266
Loa Loa (eye worm) RNA binding protein 0.0269 0.0496 0.0496
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 0.0047 0.0683
Schistosoma mansoni endoplasmin 0.0031 0.0021 0.0021
Plasmodium falciparum thioredoxin reductase 0.0037 0.0032 0.0599
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0025 0.0174
Mycobacterium tuberculosis Probable lipase LipD 0.0154 0.0266 0.1345
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0105 0.3742
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0012 0.0142
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0127 0.0212 0.0532
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0886 0.1729 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0047 0.0118
Mycobacterium ulcerans lipase LipD 0.0154 0.0266 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0012 0.0019
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0127 0.0212 0.0212
Plasmodium vivax hypothetical protein, conserved 0.0154 0.0266 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.0266 0.0266
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.0212 0.1182
Echinococcus granulosus microtubule associated protein 2 0.076 0.1478 0.1478
Entamoeba histolytica hypothetical protein 0.0151 0.026 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0005 0.0005
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0025 0.0063
Loa Loa (eye worm) beta-lactamase 0.0154 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0286 0.0529 0.0529
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0391 0.074 0.074
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.0127 0.462
Schistosoma mansoni nuclear hormone receptor 0.0044 0.0047 0.0047
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0266 0.1499
Toxoplasma gondii ABC1 family protein 0.0154 0.0266 1
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0127 0.0212 0.0212
Echinococcus granulosus GPCR family 2 0.0033 0.0025 0.0025
Brugia malayi RNA recognition motif domain containing protein 0.0269 0.0496 0.1248
Schistosoma mansoni tar DNA-binding protein 0.0269 0.0496 0.0496
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0005 0.0013
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0021 0.0074
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0127 0.0622
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0012
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0149 0.0149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0047 0.0118
Loa Loa (eye worm) hypothetical protein 0.0024 0.0005 0.0005
Entamoeba histolytica heat shock protein 90, putative 0.0031 0.0021 0.0366
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0047 0.0047
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0021 0.0495
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0047 0.0047
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0127 0.0212 0.8033
Onchocerca volvulus Bile acid receptor homolog 0.0044 0.0047 0.0683
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0149 0.0149
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0044 0.0047 0.0047
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.017 0.0426
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0154 0.0266 0.0669
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 0.0047 0.0047
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0025 0.0063
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0074 0.0187
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0033 0.0033
Plasmodium falciparum glutathione reductase 0.0037 0.0032 0.0599
Loa Loa (eye worm) glutathione reductase 0.0037 0.0032 0.0032
Plasmodium falciparum cation/H+ antiporter 0.0127 0.0212 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1714 0.3383 0.3383
Schistosoma mansoni hypothetical protein 0.0151 0.026 0.026
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0127 0.0212 0.0212
Echinococcus multilocularis microtubule associated protein 2 0.076 0.1478 0.1478
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0067 0.2411
Schistosoma mansoni sodium/calcium exchanger 0.5025 1 1
Brugia malayi beta-lactamase family protein 0.0154 0.0266 0.0669
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0127 0.0622
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Toxoplasma gondii manganese resistance 1 protein, putative 0.0127 0.0212 0.7775
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0012 0.0142
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 0.0047 0.0118
Mycobacterium tuberculosis Probable hydrolase 0.0154 0.0266 0.1345
Schistosoma mansoni survival motor neuron protein 0.0058 0.0074 0.0074
Loa Loa (eye worm) TAR-binding protein 0.0269 0.0496 0.0496
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 0.0047 0.0047
Onchocerca volvulus 0.0365 0.0687 1
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0266 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0012
Leishmania major hypothetical protein, conserved 0.0154 0.0266 1
Mycobacterium leprae Probable lipase LipE 0.0154 0.0266 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.0266 0.0266
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0151 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0097 0.0152 0.0152
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0105 0.0105
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0047 0.0047
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0012 0.0142
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 0.0047 0.0047
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.0005 0.0005
Brugia malayi TAR-binding protein 0.0269 0.0496 0.1248
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0105 0.3416
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0025 0.0008 0.0008
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 0.0047 0.0047
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0154 0.0266 0.0266
Mycobacterium ulcerans hypothetical protein 0.0027 0.0012 0.0142
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0105 0.0105
Schistosoma mansoni tar DNA-binding protein 0.0269 0.0496 0.0496
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0127 0.0622
Echinococcus granulosus ecdysone induced protein 78C 0.0044 0.0047 0.0047
Echinococcus multilocularis sodium calcium exchanger 0.5025 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0031 0.0021 0.0495
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0025 0.0224
Brugia malayi Steroid receptor seven-up type 2 0.0044 0.0047 0.0118
Loa Loa (eye worm) hypothetical protein 0.0024 0.0005 0.0005
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0146 0.072
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0024 0.0005 0.0005
Trichomonas vaginalis penicillin-binding protein, putative 0.0154 0.0266 0.1499
Schistosoma mansoni coup transcription factor 0.0044 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 0.0047 0.0047
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0054 0.0067 0.0067
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0127 0.0622
Loa Loa (eye worm) hypothetical protein 0.0033 0.0025 0.0025
Brugia malayi Sodium/calcium exchanger protein 0.201 0.3975 1
Loa Loa (eye worm) endoplasmin 0.0031 0.0021 0.0021
Mycobacterium ulcerans esterase/lipase LipP 0.0154 0.0266 1
Mycobacterium tuberculosis Probable reductase 0.0085 0.0127 0.0622
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0025 0.0174
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0044 0.0047 0.0047
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0025 0.0025
Schistosoma mansoni heat shock protein 0.0031 0.0021 0.0021
Plasmodium vivax glutathione reductase, putative 0.0037 0.0032 0.0466
Schistosoma mansoni hypothetical protein 0.0024 0.0007 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0047 0.0118
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0025 0.0008 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0154 0.0266 0.0266
Onchocerca volvulus 0.0154 0.0266 0.3871
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0047 0.0047
Brugia malayi beta-lactamase family protein 0.0154 0.0266 0.0669
Schistosoma mansoni retinoic acid receptor RXR 0.0044 0.0047 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0047 0.0118
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0025 0.0025
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 0.0047 0.0047
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0127 0.0212 0.3077
Onchocerca volvulus 0.0154 0.0266 0.3871
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0012 0.0142
Echinococcus multilocularis geminin 0.0391 0.074 0.074
Loa Loa (eye worm) heat shock protein 90 0.0031 0.0021 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0269 0.0496 0.0496
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0266 0.1499
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0032 0.0938
Loa Loa (eye worm) hypothetical protein 0.0127 0.0212 0.0212
Trypanosoma brucei trypanothione reductase 0.0037 0.0032 0.0466
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0012 0.0029
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Echinococcus multilocularis tar DNA binding protein 0.0269 0.0496 0.0496
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0154 0.0266 0.0266
Echinococcus granulosus FTZ F1 alpha 0.0044 0.0047 0.0047
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0012 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 0.0047 0.0118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0149 0.0149
Schistosoma mansoni hypothetical protein 0.0033 0.0025 0.0025
Mycobacterium tuberculosis Conserved protein 0.0154 0.0266 0.1345
Echinococcus granulosus geminin 0.0391 0.074 0.074
Brugia malayi ecdysteroid receptor 0.0044 0.0047 0.0118
Echinococcus multilocularis endoplasmin 0.0025 0.0008 0.0008
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.0005 0.0005
Echinococcus multilocularis FTZ F1 alpha 0.0044 0.0047 0.0047
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0067 0.2277
Brugia malayi RNA binding protein 0.0269 0.0496 0.1248
Echinococcus granulosus beta LACTamase domain containing family member 0.0154 0.0266 0.0266
Onchocerca volvulus 0.0058 0.0074 0.1083
Brugia malayi hypothetical protein 0.0024 0.0005 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0047 0.0118
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0127 0.0212 0.0532
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0149 0.0149
Leishmania major hypothetical protein, conserved 0.0054 0.0067 0.2277
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0127 0.0212 0.0212
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Onchocerca volvulus 0.0154 0.0266 0.3871
Loa Loa (eye worm) hypothetical protein 0.0127 0.0212 0.0212
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0025 0.0025
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0105 0.3742
Brugia malayi hypothetical protein 0.0054 0.0067 0.0168
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0012 0.0029
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0032 0.0466
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0067 0.1875
Mycobacterium ulcerans hypothetical protein 0.0154 0.0266 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0005 0.0005
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0097 0.0152 0.5656
Brugia malayi Thioredoxin reductase 0.0037 0.0032 0.0081
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0012 0.0142
Entamoeba histolytica hypothetical protein 0.0151 0.026 1
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0103 0.0258
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0127 0.0212 0.0212
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0021 0.0495
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0044 0.0047 0.0047
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0067 0.2411
Leishmania major trypanothione reductase 0.0037 0.0032 0.0938
Schistosoma mansoni hypothetical protein 0.0033 0.0025 0.0025
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0025 0.0661
Onchocerca volvulus 0.0027 0.0012 0.017
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 0.0047 0.0118
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0067 0.2277
Schistosoma mansoni hypothetical protein 0.0072 0.0103 0.0103
Loa Loa (eye worm) steroid hormone receptor 0.0044 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0365 0.0687 0.0687
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0012 0.0142
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Brugia malayi nuclear hormone receptor 0.0044 0.0047 0.0118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0149 0.0149
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0025 0.0174
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0025 0.0025
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0025 0.0025
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0529 0.0529
Plasmodium vivax cation/H+ antiporter, putative 0.0127 0.0212 0.7775
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 0.0047 0.0118
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.0005 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 0.0047 0.0118
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0032 0.0032
Echinococcus granulosus tar DNA binding protein 0.0269 0.0496 0.0496
Brugia malayi isocitrate dehydrogenase 0.0034 0.0025 0.0063
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 0.0047 0.0047
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Brugia malayi heat shock protein 90 0.0031 0.0021 0.0052
Schistosoma mansoni microtubule-associated protein tau 0.076 0.1478 0.1478
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0105 0.3742
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0025 0.0025
Trypanosoma brucei hypothetical protein, conserved 0.0154 0.0266 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0012 0.0142
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 0.0047 0.0047
Echinococcus multilocularis heat shock protein 90 0.0031 0.0021 0.0021
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0044 0.0047 0.0047
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 0.0047 0.0047
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0047 0.0047
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0012 0.0142
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 0.0047 0.0683
Mycobacterium tuberculosis Probable lipase LipE 0.0154 0.0266 0.1345
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0047 0.0118
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0025 0.0025
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.0021 0.0495
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0007 0.0007
Mycobacterium tuberculosis Conserved protein 0.0154 0.0266 0.1345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0044 0.0047 0.0047
Brugia malayi steroid hormone receptor 0.0044 0.0047 0.0118
Mycobacterium ulcerans beta-lactamase 0.0154 0.0266 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0032 0.0126
Echinococcus multilocularis heat shock protein 90 0.0025 0.0008 0.0008
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0154 0.0266 0.1345
Schistosoma mansoni na/ca exchanger 0.0127 0.0212 0.0212
Brugia malayi hypothetical protein 0.0035 0.0028 0.0071
Brugia malayi MH2 domain containing protein 0.0118 0.0194 0.0489
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0149 0.0149
Treponema pallidum hypothetical protein 0.0127 0.0212 1
Brugia malayi beta-lactamase 0.0154 0.0266 0.0669
Toxoplasma gondii thioredoxin reductase 0.0037 0.0032 0.0466
Onchocerca volvulus 0.0044 0.0047 0.0683
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0154 0.0266 0.0266
Echinococcus granulosus endoplasmin 0.0025 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0266 0.1499
Brugia malayi glutathione reductase 0.0037 0.0032 0.0081
Schistosoma mansoni hypothetical protein 0.0033 0.0025 0.0025
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0194 0.0194
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0047 0.0118
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0105 0.0105
Leishmania major heat shock protein 83-1 0.0031 0.0021 0.0495
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0127 0.0212 0.1061
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0072 0.0103 0.0103
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0146 0.072
Entamoeba histolytica hypothetical protein 0.0151 0.026 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0105 0.3742
Brugia malayi hypothetical protein 0.0286 0.0529 0.133
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0154 0.0266 0.1345
Loa Loa (eye worm) solute carrier family 8 0.5025 1 1
Brugia malayi hypothetical protein 0.0024 0.0005 0.0013
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0146 0.5351
Echinococcus multilocularis GPCR, family 2 0.0033 0.0025 0.0025
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0025 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 0.0047 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0266 1
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0127 0.0212 0.7885
Loa Loa (eye worm) hypothetical protein 0.201 0.3975 0.3975
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 0.0047 0.0047
Echinococcus multilocularis beta LACTamase domain containing family member 0.0154 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0044 0.0047 0.0047
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0021 0.0495

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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