Detailed information for compound 1086846

Basic information

Technical information
  • TDR Targets ID: 1086846
  • Name: N-[3-(hydrazinecarbonyl)naphthalen-2-yl]benze nesulfonamide
  • MW: 341.384 | Formula: C17H15N3O3S
  • H donors: 3 H acceptors: 3 LogP: 2.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1
  • InChi: 1S/C17H15N3O3S/c18-19-17(21)15-10-12-6-4-5-7-13(12)11-16(15)20-24(22,23)14-8-2-1-3-9-14/h1-11,20H,18H2,(H,19,21)
  • InChiKey: NBSWNEYEAADJGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(hydrazinecarbonyl)-2-naphthyl]benzenesulfonamide
  • N-(3-carbazoyl-2-naphthyl)benzenesulfonamide
  • N-[3-(aminocarbamoyl)naphthalen-2-yl]benzenesulfonamide
  • MLS000974620
  • N-[3-(hydrazinocarbonyl)-2-naphthyl]benzenesulfonamide
  • SMR000496817
  • CBMicro_037846
  • ZINC00446308
  • BIM-0037839.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Arabidopsis thaliana LL-diaminopimelate aminotransferase References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Chlamydia trachomatis LL-diaminopimelate aminotransferase Get druggable targets OG5_140055 All targets in OG5_140055
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
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
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0091 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0091 0.0199
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0019 0.0021
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.1163
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0091 0.0082
Schistosoma mansoni cpg binding protein 0.0037 0.0401 0.0648
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0184 0.0361
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6187 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0114 0.1375 0.3327
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0487 0.1258
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0046 0.0036
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0091 0.0199
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0487 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0617 0.0997
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0019 0.0021
Echinococcus multilocularis expressed protein 0.001 0.0061 0.0051
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0091 0.0132
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0769 0.9159
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0091 0.0476
Echinococcus multilocularis ferritin 0.001 0.0061 0.0051
Brugia malayi hypothetical protein 0.0006 0.0019 0.0021
Entamoeba histolytica hypothetical protein 0.0041 0.0462 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0091 0.0082
Schistosoma mansoni ferritin 0.001 0.0061 0.0098
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0091 0.0148
Loa Loa (eye worm) hypothetical protein 0.0006 0.0019 0.0021
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0091 0.0199
Schistosoma mansoni ferritin 0.001 0.0061 0.0098
Mycobacterium ulcerans beta-lactamase 0.0043 0.0487 0.1052
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0091 0.0476
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0184 1
Schistosoma mansoni ferritin light chain 0.001 0.0061 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0091 0.0199
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0822 0.1879
Mycobacterium ulcerans hypothetical protein 0.0043 0.0487 0.1052
Echinococcus granulosus expressed protein 0.001 0.0061 0.0082
Onchocerca volvulus 0.0012 0.0091 0.0476
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0073 0.0102
Loa Loa (eye worm) hypothetical protein 0.0141 0.1723 0.4174
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0462 0.0452
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0091 0.0132
Brugia malayi beta-lactamase family protein 0.0043 0.0487 0.1163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0091 0.0199
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0091 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0091 0.0199
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0019 0.003
Schistosoma mansoni cpg binding protein 0.0035 0.0376 0.0608
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0091 0.0199
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0091 0.0199
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0091 0.0132
Mycobacterium ulcerans lipase LipD 0.0043 0.0487 0.1052
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0487 0.1258
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0091 0.0082
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0184 0.0424
Brugia malayi ecdysteroid receptor 0.0012 0.0091 0.0199
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0091 0.0132
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0091 0.0148
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0046 0.0059
Loa Loa (eye worm) glutaminase 2 0.033 0.4114 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0184 0.0304
Onchocerca volvulus Huntingtin homolog 0.0141 0.1723 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0392 0.0383
Schistosoma mansoni hypothetical protein 0.0494 0.6187 1
Echinococcus granulosus GPCR family 2 0.0036 0.0392 0.0619
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0462 0.0731
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0091 0.0148
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.001 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0091 0.0199
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0487 0.1258
Echinococcus multilocularis GPCR, family 2 0.0036 0.0392 0.0383
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0462 0.0746
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0487 0.1105
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0487 0.1105
Brugia malayi Calcitonin receptor-like protein seb-1 0.0114 0.1375 0.3327
Brugia malayi hypothetical protein 0.0006 0.0019 0.0021
Brugia malayi nuclear hormone receptor 0.0012 0.0091 0.0199
Toxoplasma gondii ABC1 family protein 0.0043 0.0487 0.4752
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0487 0.1105
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0091 0.0082
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.1163
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.1163
Leishmania major hypothetical protein, conserved 0.0043 0.0487 0.4752
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0487 0.1052
Schistosoma mansoni nuclear hormone receptor 0.0006 0.001 0.0016
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0073 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0091 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0617 0.0997
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0822 0.1879
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0822 0.1329
Brugia malayi latrophilin 2 splice variant baaae 0.0078 0.092 0.2218
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0184 0.0361
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Schistosoma mansoni hypothetical protein 0.0036 0.0392 0.0634
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0487 0.1105
Schistosoma mansoni hypothetical protein 0.0078 0.092 0.1487
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0822 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0392 0.0931
Entamoeba histolytica hypothetical protein 0.0041 0.0462 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0091 0.0132
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0487 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0091 0.0132
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0091 0.0199
Entamoeba histolytica hypothetical protein 0.0041 0.0462 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.001 0.0016
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0617 0.1479
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0091 0.0199
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0046 0.0059
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0487 0.1258
Onchocerca volvulus 0.0043 0.0487 0.2786
Brugia malayi beta-lactamase family protein 0.0043 0.0487 0.1163
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0392 0.0619
Mycobacterium leprae Probable lipase LipE 0.0043 0.0487 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0091 0.0148
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0487 0.1258
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0091 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0091 0.0199
Schistosoma mansoni apoferritin-2 0.001 0.0061 0.0098
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0487 0.1163
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0091 0.0148
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0091 0.0199
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0392 0.0931
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0487 0.0773
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0487 0.1163
Schistosoma mansoni hypothetical protein 0.0041 0.0462 0.0746
Echinococcus granulosus ferritin 0.001 0.0061 0.0082
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0091 0.0148
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0376 0.0892
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0091 0.0199
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0392 0.0619
Trichomonas vaginalis glutaminase, putative 0.033 0.4114 1
Schistosoma mansoni ap endonuclease 0.002 0.0184 0.0297
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0487 0.0478
Schistosoma mansoni nuclear hormone receptor 0.0006 0.001 0.0016
Schistosoma mansoni glutaminase 0.033 0.4114 0.665
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0073 0.0153
Schistosoma mansoni hypothetical protein 0.0036 0.0392 0.0634
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.1163
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0487 0.1258
Loa Loa (eye worm) hypothetical protein 0.0006 0.0019 0.0021
Entamoeba histolytica hypothetical protein 0.0041 0.0462 1
Onchocerca volvulus 0.0043 0.0487 0.2786
Mycobacterium tuberculosis Conserved protein 0.0043 0.0487 0.1258
Schistosoma mansoni apoferritin-2 0.001 0.0061 0.0098
Chlamydia trachomatis LL-diaminopimelate aminotransferase 0.07 0.8797 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0617 0.0997
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0091 0.0148
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0868 0.1403
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0114 0.1375 0.3327
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0822 0.0813
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0392 0.0931
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0822 0.1315
Schistosoma mansoni coup transcription factor 0.0012 0.0091 0.0148
Brugia malayi glutaminase DH11.1 0.033 0.4114 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0091 0.0199
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.1163
Onchocerca volvulus 0.0035 0.0376 0.2137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0617 0.0608
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0091 0.0199
Brugia malayi nuclear receptor RXR 0.0006 0.0019 0.0021
Brugia malayi hypothetical protein 0.0141 0.1723 0.4174
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0046 0.0036
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0487 0.0787
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0487 0.0787
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0822 0.1329
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0091 0.0199
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6187 0.6184
Loa Loa (eye worm) hypothetical protein 0.0114 0.1375 0.3327
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0184 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0184 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3452 1
Schistosoma mansoni ferritin 0.001 0.0061 0.0098
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0184 0.0282
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.0199
Brugia malayi nuclear receptor NHR-88 0.0012 0.0091 0.0199
Trichomonas vaginalis ferritin, putative 0.001 0.0061 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0091 0.0199
Mycobacterium ulcerans glutaminase 0.033 0.4114 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0487 0.1163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0091 0.0199
Schistosoma mansoni ap endonuclease 0.002 0.0184 0.0297
Onchocerca volvulus Huntingtin homolog 0.0141 0.1723 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0822 0.2246
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0091 0.0132
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0091 0.0148
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0184 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0091 0.0132
Brugia malayi beta-lactamase 0.0043 0.0487 0.1163
Echinococcus granulosus cpg binding protein 0.0037 0.0401 0.0633
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0487 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0487 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0184 0.0424
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0392 0.0931
Mycobacterium tuberculosis Conserved protein 0.0043 0.0487 0.1258
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0091 0.0199
Loa Loa (eye worm) hypothetical protein 0.0006 0.0019 0.0021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0617 0.0608
Schistosoma mansoni zinc finger protein 0.0006 0.001 0.0016
Loa Loa (eye worm) beta-lactamase 0.0043 0.0487 0.1163
Trichomonas vaginalis esterase, putative 0.0043 0.0487 0.1105
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0091 0.0476
Loa Loa (eye worm) hypothetical protein 0.0078 0.092 0.2218
Brugia malayi steroid hormone receptor 0.0012 0.0091 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0091 0.0199
Brugia malayi CXXC zinc finger family protein 0.0035 0.0376 0.0892
Brugia malayi hypothetical protein 0.0041 0.0462 0.11
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0091 0.0082
Schistosoma mansoni ferritin light chain 0.001 0.0061 0.0098
Loa Loa (eye worm) glutaminase 0.033 0.4114 1
Onchocerca volvulus 0.0043 0.0487 0.2786
Loa Loa (eye worm) hypothetical protein 0.0006 0.0019 0.0021
Schistosoma mansoni cpg binding protein 0.0037 0.0401 0.0648
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0392 0.0383
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0487 0.1105
Schistosoma mansoni hypothetical protein 0.0036 0.0392 0.0634
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0487 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0091 0.0082
Schistosoma mansoni hypothetical protein 0.0036 0.0392 0.0634
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0071 0.0149
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0617 0.0983
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0487 0.1258
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0019 0.0021
Schistosoma mansoni nuclear receptor 0.0006 0.001 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0091 0.0082
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0091 0.0082
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0184 0.0174
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0019 0.003
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0184 0.0363
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0091 0.0132
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0617 0.0983
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0091 0.0148
Loa Loa (eye worm) hypothetical protein 0.0006 0.0019 0.0021
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0822 0.1879
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.001 0.0016
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0822 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0617 0.1479
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0019 0.0009
Loa Loa (eye worm) hypothetical protein 0.0141 0.1723 0.4174
Mycobacterium tuberculosis Conserved protein 0.0043 0.0487 0.1258
Schistosoma mansoni ferritin 0.001 0.0061 0.0098
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0046 0.0074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0091 0.0148
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0019 0.0014
Echinococcus multilocularis cpg binding protein 0.0037 0.0401 0.0391
Schistosoma mansoni nuclear receptor 0.0006 0.001 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0091 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0091 0.0199
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0487 0.1052

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM Inhibition of Arabidopsis thaliana LL-DAP-AT expressed in Escherichia coli by aminobenzaldehyde-based assay ChEMBL. 20185317
Inhibition (functional) Antimicrobial activity against Escherichia coli DH5alpha at <200 ug/mL ChEMBL. 20185317
Inhibition (binding) = 33 % Inhibition of Arabidopsis thaliana LL-DAP-AT expressed in Escherichia coli at 10 uM by aminobenzaldehyde-based assay ChEMBL. 20185317
Potency (functional) = 0.1778 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 5.8584 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) 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 39.8107 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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
Potency (functional) 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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

1 literature reference was collected for this gene.

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