Detailed information for compound 1377753

Basic information

Technical information
  • TDR Targets ID: 1377753
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-1,3-di oxoisoindole-5-carboxamide
  • MW: 352.341 | Formula: C19H16N2O5
  • H donors: 1 H acceptors: 3 LogP: 1.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C(=O)c2c(C1=O)cc(cc2)C(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C19H16N2O5/c1-2-21-18(23)13-5-4-12(8-14(13)19(21)24)17(22)20-9-11-3-6-15-16(7-11)26-10-25-15/h3-8H,2,9-10H2,1H3,(H,20,22)
  • InChiKey: VWTAANSXAJIZJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-1,3-dioxo-isoindoline-5-carboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-1,3-dioxo-5-isoindolinecarboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-1,3-diketo-isoindoline-5-carboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-1,3-dioxo-isoindole-5-carboxamide
  • SMR000115414
  • STK266390
  • ZINC00692773
  • MLS000549475

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA, U transporter 1 0.0087 0.0612 0.4574
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0125 0.0049
Echinococcus granulosus peptidase Clp S14 family 0.0108 0.0773 0.0773
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.0922 0.3712
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.0241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0015 0.0059
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0382 0.0382
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0015 0.0015
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1702 0.1702
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0444 0.0444
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0382 0.1433
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0165 0.1215 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0165 0.1215 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0015 0.0059
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0365 0.2774 1
Schistosoma mansoni ran 0.0023 0.0108 0.0408
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.0241
Loa Loa (eye worm) hypothetical protein 0.0165 0.1215 0.4891
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0015 0.0109
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0076 0.0143
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.006 0.0241
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0307
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0015 0.0015
Brugia malayi ecdysteroid receptor 0.0011 0.0015 0.0109
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0125 0.0933
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.0446
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0307
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0125 0.0049
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1292 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0409 0.0409
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0015 0.0109
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0057 0.0374 0.2724
Loa Loa (eye worm) hypothetical protein 0.0031 0.0172 0.0691
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0382 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0382 0.1433
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0015 0.0015
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0108 0.0437
Echinococcus multilocularis peptidase Clp (S14 family) 0.0108 0.0773 0.0773
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.0922 0.3712
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 0.2484 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0409 0.0409
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0365 0.2774 0.2719
Mycobacterium ulcerans thymidine phosphorylase 0.1292 1 1
Echinococcus multilocularis phd:f box containing protein 0.0016 0.006 0.006
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0504 0.0431
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0108 0.0422
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0015 0.0109
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0125 0.9139
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0409 0.1538
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0076 0.0008
Toxoplasma gondii hypothetical protein 0.0057 0.0374 0.2724
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0125 0.9139
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0125 0.1465
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.018 0.1339 0.5389
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0125 0.0933
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.0446
Brugia malayi steroid hormone receptor 0.0011 0.0015 0.0109
Schistosoma mansoni hypothetical protein 0.035 0.2662 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0504 0.0439
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0015 0.0109
Brugia malayi nuclear hormone receptor 0.0011 0.0015 0.0109
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0015 0.0055
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0108 0.081
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0172 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.006 0.006
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0015 0.0055
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0125 0.0049
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0504 0.0431
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0382 0.1536
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0015 0.0055
Echinococcus multilocularis thymidine phosphorylase 0.1292 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0409 0.1649
Brugia malayi jmjC domain containing protein 0.0061 0.0409 0.3059
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0165 0.1215 1
Loa Loa (eye worm) MBCTL1 0.0066 0.0444 0.1786
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0015 0.0015
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0504 0.1894
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0015 0.0059
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.006 0.0225
Brugia malayi Probable ClpP-like protease 0.0165 0.1215 0.9076
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0125 0.0049
Schistosoma mansoni peptidase Clp (S14 family) 0.0165 0.1215 0.4564
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0504 0.1894
Loa Loa (eye worm) hypothetical protein 0.0058 0.0382 0.1536
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0015 0.0015
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0057 0.0374 0.2724
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.006 0.0241
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0015 0.0055
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.006 0.006
Brugia malayi mbt repeat family protein 0.0058 0.0382 0.285
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0015 0.0055
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0125 0.1465
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0172 0.0968
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0165 0.1215 0.1147
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0108 0.7313
Onchocerca volvulus 0.0025 0.0125 0.3005
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.0241
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0444 0.0444
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0015 0.0015
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0504 0.0431
Echinococcus multilocularis snurportin 1 0.0327 0.2484 0.2484
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0126 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0165 0.1215 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0015 0.0109
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0015 0.0109
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0125 0.9139
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.006 0.006
Echinococcus granulosus phd:f box containing protein 0.0016 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0165 0.1215 0.1215
Echinococcus granulosus snurportin 1 0.0327 0.2484 0.2484
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.006 0.006
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0125 0.0057
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0125 0.1465
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.006 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0015 0.0109
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0125 0.0049
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0108 0.0773 0.071
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0015 0.0015
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0015 0.0015
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0165 0.1215 0.4114
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0108 0.0773 0.2447
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0409 0.0409
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0382 0.0382
Schistosoma mansoni hypothetical protein 0.0327 0.2484 0.9332
Onchocerca volvulus 0.0058 0.0382 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0015 0.0015
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0108 0.5
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0057 0.0374 0.0942
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0015 0.0109
Loa Loa (eye worm) hypothetical protein 0.0025 0.0125 0.0503
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0015 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0015 0.0109
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0365 0.2774 0.2725
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0108 0.0108
Brugia malayi Muscleblind-like protein 0.018 0.1339 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0307
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0165 0.1215 0.1215
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.0446
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0444 0.0444
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0015 0.0015
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0015 0.0015
Schistosoma mansoni coup transcription factor 0.0011 0.0015 0.0055
Brugia malayi MH2 domain containing protein 0.0127 0.0922 0.6889
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0125 0.0057
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0409 0.1538
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.018 0.1339 0.5389
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0108 0.0422
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0015 0.0055
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0409 0.0409
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0125 0.0049
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0015 0.0015
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0444 0.3315
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.006 0.006
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.006 0.006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0015 0.0059
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0444 0.1667
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0015 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0015 0.0109
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0165 0.1215 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0382 0.0382
Mycobacterium ulcerans hypothetical protein 0.0025 0.0125 0.0049
Schistosoma mansoni protein phosphatase 2C 0.0016 0.006 0.0225
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0504 0.0504
Brugia malayi nuclear receptor NHR-88 0.0011 0.0015 0.0109
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0015 0.0055
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.006 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0015 0.0059
Leishmania major GTP-binding protein, putative 0.0023 0.0108 0.1096
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0015 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0015 0.0109
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0015 0.0055
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0382 0.1433
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0108 0.0773 0.071
Echinococcus multilocularis muscleblind protein 0.018 0.1339 0.1339
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0165 0.1215 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0409 0.1538
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0108 0.4357
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0015 0.0109
Echinococcus granulosus muscleblind protein 0.018 0.1339 0.1339
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0504 0.3847
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0108 0.7313
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0504 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0076 0.0143
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0165 0.1215 1
Plasmodium vivax importin-beta 2, putative 0.0031 0.0172 0.0968
Echinococcus granulosus importin subunit beta 1 0.0031 0.0172 0.0172
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0125 0.0049
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0165 0.1215 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0172 1
Plasmodium falciparum importin beta, putative 0.0031 0.0172 0.0968
Brugia malayi jmjC domain containing protein 0.0061 0.0409 0.3059
Loa Loa (eye worm) hypothetical protein 0.0025 0.0125 0.0503
Brugia malayi mbt repeat family protein 0.0058 0.0382 0.285
Schistosoma mansoni phd/f-box containing protein 0.0016 0.006 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0015 0.0059
Echinococcus multilocularis muscleblind protein 1 0.018 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0059
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0015 0.0055
Entamoeba histolytica hypothetical protein 0.0025 0.0126 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0307
Loa Loa (eye worm) hypothetical protein 0.0025 0.0125 0.0503
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0172 0.0172
Leishmania major importin beta-1 subunit, putative 0.0025 0.0126 0.1499
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0015 0.0109
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0015 0.0015
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0126 1
Brugia malayi Importin beta-1 subunit 0.0031 0.0172 0.1282
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1702 0.1702
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0108 0.0422
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0015 0.0015
Schistosoma mansoni jumonji domain containing protein 0.0016 0.006 0.0225
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0015 0.0059
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0165 0.1215 0.1147
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0382 0.0382
Brugia malayi jmjC domain containing protein 0.0016 0.006 0.0446
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0015 0.0109
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0066 0.0444 0.1786
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0015 0.0109
Schistosoma mansoni importin beta-1 0.0031 0.0172 0.0645
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0015 0.0055
Schistosoma mansoni ran 0.0023 0.0108 0.0408
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0015 0.0055
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0125 0.0933
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0504 0.0504
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0126 1
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0015 0.0059
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0126 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.