Detailed information for compound 787403

Basic information

Technical information
  • TDR Targets ID: 787403
  • Name: 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]- 1-[4-(4-acetylphenyl)piperazin-1-yl]propan-1- one
  • MW: 483.58 | Formula: C25H29N3O5S
  • H donors: 0 H acceptors: 5 LogP: 1.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccc(cc1)C(=O)C)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C
  • InChi: 1S/C25H29N3O5S/c1-18(29)20-3-5-22(6-4-20)26-12-14-27(15-13-26)25(31)10-16-34(32,33)23-7-8-24-21(17-23)9-11-28(24)19(2)30/h3-8,17H,9-16H2,1-2H3
  • InChiKey: LPEHXHMSRZDFAB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1-acetylindolin-5-yl)sulfonyl-1-[4-(4-acetylphenyl)piperazin-1-yl]propan-1-one
  • 3-[(1-acetyl-5-indolinyl)sulfonyl]-1-[4-(4-acetylphenyl)-1-piperazinyl]propan-1-one
  • 1-[4-[4-[3-(1-acetylindolin-5-yl)sulfonylpropanoyl]piperazin-1-yl]phenyl]ethanone
  • 3-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Entamoeba histolytica heat shock protein 90, putative 0.0034 0.0255 0.0667
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0099 0.0107
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0118 0.0456
Trichomonas vaginalis heat shock protein, putative 0.0021 0.0121 0.023
Brugia malayi hypothetical protein 0.0011 0.0019 0.0072
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0428 0.1654
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0099 0.0382
Trypanosoma cruzi heat shock protein 85, putative 0.0027 0.0184 0.0761
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.1267 0.4892
Schistosoma mansoni tar DNA-binding protein 0.026 0.259 0.2792
Trypanosoma cruzi heat shock protein 90, putative 0.0034 0.0255 0.1162
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.0038 0.0304 0.1438
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0122 0.0406
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0118 0.0118
Echinococcus granulosus phd:f box containing protein 0.0019 0.0099 0.0107
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0099 0.0107
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0255 0.1162
Brugia malayi Endoplasmin precursor 0.0034 0.0255 0.0985
Echinococcus granulosus dual specificity 0.0185 0.1816 0.1958
Brugia malayi nuclear hormone receptor 0.002 0.0118 0.0456
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0382
Echinococcus multilocularis heat shock protein 90 0.0034 0.0255 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0118 0.0456
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0118 0.0789
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0118 0.0789
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0974 0.3759
Brugia malayi nuclear receptor RXR 0.001 0.0007 0.0026
Loa Loa (eye worm) hypothetical protein 0.0038 0.0304 0.1173
Brugia malayi hypothetical protein 0.0035 0.0273 0.1054
Schistosoma mansoni tar DNA-binding protein 0.026 0.259 0.2792
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0185 0.1816 1
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0255 0.1162
Echinococcus granulosus GPCR family 2 0.0033 0.0245 0.0264
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0118 0.0127
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0099 0.0445
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0014 0.005 0.0054
Brugia malayi hypothetical protein 0.001 0.0007 0.0026
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0184 0.0437
Toxoplasma gondii ABC1 family protein 0.0038 0.0304 0.2301
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0099 0.0107
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0007 0.0026
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0974 0.3759
Echinococcus granulosus heat shock protein 0.0034 0.0255 0.0275
Trichomonas vaginalis endoplasmin, putative 0.0021 0.0121 0.023
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0118 0.0118
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.007 0.0626 0.0675
Loa Loa (eye worm) hypothetical protein 0.0011 0.0019 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.0185 0.1816 0.1958
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Schistosoma mansoni tar DNA-binding protein 0.026 0.259 0.2792
Schistosoma mansoni endoplasmin 0.0034 0.0255 0.0275
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0118 0.0456
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0118 0.0127
Leishmania major hypothetical protein, conserved 0.0019 0.0099 0.0278
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0099 0.0107
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0099 0.0099
Schistosoma mansoni jumonji domain containing protein 0.007 0.0626 0.0675
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0118 0.0118
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0428 0.1654
Brugia malayi beta-lactamase family protein 0.0038 0.0304 0.1173
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0022 0.0137 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0118 0.0456
Loa Loa (eye worm) beta-lactamase 0.0038 0.0304 0.1173
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0056 0.0021
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0007 0.0007
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0122 0.2823
Loa Loa (eye worm) hypothetical protein 0.0038 0.0304 0.1173
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0007 0.0007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0245 0.0245
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0664 0.2562
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0118 0.0127
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0382
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0022 0.0137 0.0147
Trypanosoma cruzi Heat shock protein 83, putative 0.0034 0.0255 0.1162
Mycobacterium tuberculosis Conserved protein 0.0038 0.0304 0.0786
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.0255 0.1162
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.0113 0.0355
Schistosoma mansoni nuclear hormone receptor 0.002 0.0118 0.0127
Echinococcus multilocularis heat shock protein 90 0.0027 0.0184 0.0184
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0118 0.0127
Loa Loa (eye worm) endoplasmin 0.0034 0.0255 0.0985
Plasmodium vivax endoplasmin, putative 0.0034 0.0255 0.8081
Echinococcus multilocularis dual specificity 0.0185 0.1816 0.1816
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0304 0.0826
Echinococcus granulosus FTZ F1 alpha 0.002 0.0118 0.0127
Echinococcus granulosus endoplasmin 0.0027 0.0184 0.0199
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0382
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0382
Brugia malayi Protein kinase domain containing protein 0.0185 0.1816 0.7013
Loa Loa (eye worm) hypothetical protein 0.0147 0.1418 0.5476
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0027 0.0184 0.027
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0304 0.0826
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0099 0.0099
Brugia malayi nuclear receptor NHR-88 0.001 0.0007 0.0026
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0304 0.1438
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0027 0.0184 1
Echinococcus granulosus dnaJ subfamily B 0.0909 0.9278 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0974 0.3759
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0245 0.0264
Mycobacterium ulcerans beta-lactamase 0.0038 0.0304 0.1342
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0071 0.0076
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0007 0.0007
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0019 0.0072
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0071 0.0076
Schistosoma mansoni nuclear hormone receptor 0.001 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0122 0.0406
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0071 0.0071
Brugia malayi TAR-binding protein 0.026 0.259 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0118 0.0127
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0099 0.0099
Loa Loa (eye worm) CXXC zinc finger family protein 0.0064 0.0565 0.2182
Brugia malayi nuclear receptor RXR 0.0011 0.0019 0.0072
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0153 0.148 1
Schistosoma mansoni hypothetical protein 0.0071 0.0636 0.0686
Trichomonas vaginalis helicase, putative 0.0014 0.0056 0.0021
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.0726
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0245 0.0264
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0019 0.0072
Giardia lamblia Heat shock protein HSP 90-alpha 0.0034 0.0255 0.0444
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0118 0.0456
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0382
Mycobacterium ulcerans heat shock protein 90 0.0027 0.0184 0.0462
Loa Loa (eye worm) hypothetical protein 0.0011 0.0019 0.0072
Schistosoma mansoni hypothetical protein 0.0033 0.0245 0.0264
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0118 0.0127
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0099 0.0278
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0056 0.0021
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0382
Echinococcus granulosus heat shock protein 90 0.0027 0.0184 0.0199
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0019 0.002
Brugia malayi RNA recognition motif domain containing protein 0.026 0.259 1
Entamoeba histolytica protein kinase, putative 0.0185 0.1816 0.5742
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.007 0.0626 0.0626
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0118 0.0456
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0007 0.0007
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0118 0.0456
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0118 0.0118
Echinococcus granulosus tar DNA binding protein 0.026 0.259 0.2792
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Onchocerca volvulus 0.0038 0.0304 0.2105
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0118 0.0456
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0304 0.0786
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Giardia lamblia Fructose-bisphosphate aldolase 0.0312 0.3126 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0304 0.1173
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0007 0.0026
Schistosoma mansoni zinc finger protein 0.001 0.0007 0.0007
Onchocerca volvulus 0.002 0.0118 0.0789
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0118 0.0456
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0153 0.148 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0304 0.1173
Echinococcus multilocularis cpg binding protein 0.0067 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0071 0.0636 0.2456
Loa Loa (eye worm) hypothetical protein 0.0184 0.1807 0.6975
Giardia lamblia Heat shock protein HSP 90-alpha 0.0027 0.0184 0.0209
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0071 0.0071
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0099 0.0107
Schistosoma mansoni ap endonuclease 0.0021 0.0122 0.0131
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0027 0.0184 0.0199
Loa Loa (eye worm) heat shock protein 75 0.0014 0.005 0.0192
Toxoplasma gondii heat shock protein HSP90 0.0034 0.0255 0.1859
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0118 0.0127
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0007 0.0007
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0007 0.0007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0118 0.0118
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.0726
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Schistosoma mansoni thyroid hormone receptor 0.002 0.0118 0.0127
Mycobacterium ulcerans lipase LipD 0.0038 0.0304 0.1342
Plasmodium vivax JmjC domain containing protein 0.0019 0.0099 0.1935
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.3126 1
Schistosoma mansoni heat shock protein 0.0034 0.0255 0.0275
Trichomonas vaginalis heat shock protein, putative 0.0034 0.0255 0.0667
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0118 0.0118
Schistosoma mansoni hypothetical protein 0.0033 0.0245 0.0264
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Brugia malayi nuclear receptor NHR-67 0.001 0.0007 0.0026
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0304 0.1438
Plasmodium falciparum endoplasmin, putative 0.0021 0.0121 0.345
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0007 0.0007
Loa Loa (eye worm) histone methyltransferase 0.002 0.0111 0.0428
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0428 0.0428
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0108 0.0418
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0304 0.0826
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0245 0.0945
Onchocerca volvulus 0.0038 0.0304 0.2105
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0056 0.0021
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0273 0.0273
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0118 0.0127
Giardia lamblia Grp94/Hsp90 0.0027 0.0184 0.0209
Mycobacterium ulcerans hypothetical protein 0.0038 0.0304 0.1342
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.1267 0.4892
Loa Loa (eye worm) hypothetical protein 0.0103 0.0974 0.3759
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0007 0.0007
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Brugia malayi Nuclear hormone receptor E75 0.001 0.0007 0.0026
Brugia malayi beta-lactamase 0.0038 0.0304 0.1173
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0118 0.0456
Schistosoma mansoni cpg binding protein 0.0064 0.0565 0.0609
Loa Loa (eye worm) DR-78 0.001 0.0007 0.0026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Schistosoma mansoni thyroid hormone receptor 0.002 0.0118 0.0127
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Brugia malayi steroid hormone receptor 0.002 0.0118 0.0456
Loa Loa (eye worm) hypothetical protein 0.0011 0.0019 0.0072
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0184 0.0437
Schistosoma mansoni cpg binding protein 0.0067 0.0603 0.065
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.3126 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0273 0.0294
Brugia malayi heat shock protein 90 0.0034 0.0255 0.0985
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0135 0.1303 0.1404
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.0255 0.1162
Echinococcus multilocularis tar DNA binding protein 0.026 0.259 0.259
Echinococcus multilocularis heat shock protein 0.0034 0.0255 0.0255
Echinococcus multilocularis endoplasmin 0.0027 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0019 0.0019
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Schistosoma mansoni cpg binding protein 0.0067 0.0603 0.065
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0255 0.1162
Schistosoma mansoni tar DNA-binding protein 0.026 0.259 0.2792
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Brugia malayi nuclear hormone receptor 0.001 0.0007 0.0026
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Schistosoma mansoni endoplasmin 0.0034 0.0255 0.0275
Brugia malayi nuclear receptor NHR-88 0.002 0.0118 0.0456
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0304 0.0304
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0304 0.1342
Mycobacterium leprae Probable lipase LipE 0.0038 0.0304 0.0923
Schistosoma mansoni coup transcription factor 0.002 0.0118 0.0127
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0007 0.0007
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0007 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0118 0.0456
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0118 0.0456
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0304 0.0786
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0118 0.0127
Brugia malayi jmjC domain containing protein 0.0073 0.0664 0.2562
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0428 0.0462
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0428 0.0462
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0382
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0118 0.0118
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.2441 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0304 0.0328
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0304 0.0826
Entamoeba histolytica protein kinase, putative 0.0185 0.1816 0.5742
Brugia malayi beta-lactamase family protein 0.0038 0.0304 0.1173
Entamoeba histolytica hypothetical protein 0.0185 0.1816 0.5742
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0304 0.0328
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0027 0.0184 0.0761
Schistosoma mansoni nuclear receptor 0.001 0.0007 0.0007
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0122 0.0122
Onchocerca volvulus 0.0064 0.0565 0.3956
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0099 0.0382
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0118 0.0456
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0099 0.0445
Brugia malayi ecdysone receptor 0.001 0.0007 0.0026
Loa Loa (eye worm) hypothetical protein 0.0011 0.0019 0.0072
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0304 0.1342
Brugia malayi Nuclear hormone receptor E75 0.001 0.0007 0.0026
Brugia malayi jmjC domain containing protein 0.007 0.0626 0.2417
Trypanosoma brucei Heat shock protein 83, putative 0.0034 0.0255 0.1162
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0038 0.0304 0.1173
Echinococcus multilocularis dnaJ subfamily B 0.0909 0.9278 0.9278
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Toxoplasma gondii heat shock protein 90, putative 0.0034 0.0255 0.1859
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0118 0.0456
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0019 0.002
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0304 0.0786
Entamoeba histolytica protein kinase domain containing protein 0.0185 0.1816 0.5742
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0118 0.0118
Treponema pallidum heat shock protein 90 0.0027 0.0184 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0118 0.0456
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0007 0.0026
Plasmodium vivax heat shock protein 86, putative 0.0034 0.0255 0.8081
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0056 0.0021
Brugia malayi RNA binding protein 0.026 0.259 1
Onchocerca volvulus 0.0038 0.0304 0.2105
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0111 0.012
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0664 0.0715
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0014 0.005 0.0305
Echinococcus multilocularis lysine specific demethylase 5A 0.007 0.0626 0.0626
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0304 0.0328
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0122 0.0469
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0007 0.0026
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Brugia malayi conserved hypotetical protein 0.001 0.0007 0.0026
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0111 0.0111
Toxoplasma gondii exonuclease III APE 0.0021 0.0122 0.065
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0245 0.0945
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0118 0.0127
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0099 0.0107
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0304 0.0786
Mycobacterium tuberculosis Conserved protein 0.0038 0.0304 0.0786
Mycobacterium tuberculosis Conserved protein 0.0038 0.0304 0.0786
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0185 0.1816 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0007 0.0007
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0019 0.002
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Brugia malayi hypothetical protein 0.001 0.0007 0.0026
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0118 0.0127
Schistosoma mansoni tar DNA-binding protein 0.026 0.259 0.2792
Schistosoma mansoni heat shock protein 0.0034 0.0255 0.0275
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0122 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0118 0.0456
Schistosoma mansoni hypothetical protein 0.0909 0.9278 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0304 0.0786
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0122 0.3494
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0245 0.0245
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0056 0.0021
Loa Loa (eye worm) hypothetical protein 0.0011 0.0019 0.0072
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.026 0.259 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0122 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0118 0.0456
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0118 0.0456
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0304 0.0786
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Schistosoma mansoni nuclear receptor 0.001 0.0007 0.0007
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0118 0.0789
Loa Loa (eye worm) hypothetical protein 0.0038 0.0304 0.1173
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.0726
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0118 0.0127
Brugia malayi tailless protein 0.001 0.0007 0.0026
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0122 0.0233
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0099 0.0099
Echinococcus multilocularis GPCR, family 2 0.0033 0.0245 0.0245
Brugia malayi hypothetical protein 0.0147 0.1418 0.5476
Echinococcus granulosus heat shock protein 90 0.0034 0.0255 0.0275
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0118 0.0456
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0118 0.0456
Toxoplasma gondii histone lysine methyltransferase SET1 0.0121 0.1154 1
Loa Loa (eye worm) RNA binding protein 0.026 0.259 1
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0007 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Schistosoma mansoni heat shock protein 0.0014 0.005 0.0054
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Schistosoma mansoni hypothetical protein 0.0033 0.0245 0.0264
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0007 0.0026
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0304 0.1173
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0007 0.0026
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0273 0.0294
Brugia malayi Hsp90 protein 0.0014 0.005 0.0192
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0122 0.0406
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0007 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0304 0.0786
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0304 0.1438
Brugia malayi MH2 domain containing protein 0.0132 0.1267 0.4892
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0184 0.0437
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0099 0.0107
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0118 0.0456
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0099 0.0107
Trichomonas vaginalis esterase, putative 0.0038 0.0304 0.0826
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0153 0.148 0.5857
Loa Loa (eye worm) hypothetical protein 0.0033 0.0245 0.0945
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0099 0.0278
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Loa Loa (eye worm) TAR-binding protein 0.026 0.259 1
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0099 0.2395
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0664 0.0715
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Schistosoma mansoni hypothetical protein 0.0033 0.0245 0.0264
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Echinococcus granulosus cpg binding protein 0.0067 0.0603 0.065
Treponema pallidum fructose-bisphosphate aldolase 0.0312 0.3126 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0428 0.0462
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0099 0.0382
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0122 0.0406
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0019 0.0072
Entamoeba histolytica heat shock protein 90, putative 0.0034 0.0255 0.0667
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0245 0.0945
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3126 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0122 0.0131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0428 0.0428
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0118 0.0127
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0118 0.0127
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0428 0.0462
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0304 0.0923
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0118 0.0456
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0014 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0184 0.1807 0.6975
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0636 0.2456
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0007 0.0026
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0118 0.0127
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0071 0.0076
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0118 0.0127
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0056 0.0021
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0304 0.0826
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0185 0.1816 1
Brugia malayi hypothetical protein 0.0011 0.0019 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0118 0.0456
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Onchocerca volvulus 0.0147 0.1418 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0056 0.0021
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.0456
Trypanosoma brucei heat shock protein, putative 0.0034 0.0255 0.1162
Brugia malayi ecdysteroid receptor 0.002 0.0118 0.0456
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0118 0.0127
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0664 0.0715
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Leishmania major heat shock protein 83-1 0.0034 0.0255 0.1162
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0056 0.0021
Entamoeba histolytica hypothetical protein 0.0035 0.0273 0.0726
Brugia malayi CXXC zinc finger family protein 0.0064 0.0565 0.2182
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Loa Loa (eye worm) heat shock protein 90 0.0034 0.0255 0.0985
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0099 0.0278
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0304 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0428 0.0462
Plasmodium falciparum heat shock protein 90 0.0034 0.0255 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0007 0.0007
Schistosoma mansoni ap endonuclease 0.0021 0.0122 0.0131
Schistosoma mansoni hypothetical protein 0.0035 0.0273 0.0294
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0185 0.1816 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0122 0.0469
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0056 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0118 0.0456
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0304 0.1173
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0185 0.1816 0.7013
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0026
Trypanosoma cruzi heat shock protein 90, putative 0.0027 0.0184 0.0761

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1577 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 6.5733 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) 13.1154 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 (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.