Detailed information for compound 1269437

Basic information

Technical information
  • TDR Targets ID: 1269437
  • Name: 4-dimethylamino-N-(3-phenylsulfanylpropyl)ben zamide
  • MW: 314.445 | Formula: C18H22N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)C(=O)NCCCSc1ccccc1)C
  • InChi: 1S/C18H22N2OS/c1-20(2)16-11-9-15(10-12-16)18(21)19-13-6-14-22-17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21)
  • InChiKey: CJXLVJDKLNNNIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-dimethylamino-N-[3-(phenylthio)propyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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 tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0043 0.018 0.0522
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.0664 0.195
Schistosoma mansoni lamin 0.0059 0.0263 0.0767
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0138 0.0804
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.0701 0.5701
Loa Loa (eye worm) hypothetical protein 0.0027 0.0091 0.0266
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0138 0.4725
Loa Loa (eye worm) RGC/RGC protein kinase 0.0011 0.0002 0.0005
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0018 0.0054
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0051 0.2055
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0405
Brugia malayi Carboxylesterase family protein 0.0107 0.0526 0.1548
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0009 0.0026
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0019 0.0046 0.0276
Onchocerca volvulus 0.0107 0.0526 0.3302
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0002 0.0002
Plasmodium falciparum glutathione reductase 0.0055 0.0241 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0046 0.0133
Entamoeba histolytica hypothetical protein 0.0043 0.018 1
Echinococcus multilocularis musashi 0.0059 0.0263 0.0262
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0097 0.0283
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.1818
Mycobacterium ulcerans lipase LipD 0.0036 0.0138 0.1494
Schistosoma mansoni hypothetical protein 0.0032 0.0115 0.0331
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.1818
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0002 0.0002
Echinococcus multilocularis glutamate receptor 2 0.0011 0.0002 0.0002
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0138 0.1924
Echinococcus multilocularis dnaJ subfamily B 0.0407 0.2167 0.2166
Echinococcus granulosus lamin dm0 0.0059 0.0263 0.0772
Echinococcus multilocularis lamin dm0 0.0059 0.0263 0.0262
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0664 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0241 0.0241
Echinococcus granulosus dnaJ subfamily B 0.0407 0.2167 0.6379
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0009 0.0008
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0114 0.0333
Brugia malayi hypothetical protein 0.003 0.0104 0.0307
Echinococcus multilocularis acetylcholinesterase 0.0632 0.3396 0.3396
Mycobacterium tuberculosis Conserved protein 0.0036 0.0138 0.0804
Loa Loa (eye worm) intermediate filament protein 0.0059 0.0263 0.0772
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0009 0.0019
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0115 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0009 0.0026
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0011 0.0002 0.0005
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0241 0.0708
Loa Loa (eye worm) glutamate receptor 0.003 0.0106 0.0311
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0046 0.0133
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0138 0.5684
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0301 0.4131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0009 0.0008
Schistosoma mansoni hypothetical protein 0.0019 0.0046 0.0129
Plasmodium vivax glutathione reductase, putative 0.0055 0.0241 1
Trypanosoma brucei trypanothione reductase 0.0055 0.0241 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0138 0.1924
Echinococcus granulosus acetylcholinesterase 0.0632 0.3396 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0526 0.1546
Mycobacterium ulcerans hypothetical protein 0.0036 0.0138 0.1494
Leishmania major hypothetical protein, conserved 0.0036 0.0138 0.2052
Brugia malayi Carboxylesterase family protein 0.0107 0.0526 0.1548
Echinococcus granulosus geminin 0.0537 0.2879 0.8477
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0009 0.0008
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0009 0.0008
Brugia malayi Guanylyl cyclase protein 23 0.0011 0.0002 0.0007
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0138 0.04
Loa Loa (eye worm) hypothetical protein 0.0107 0.0526 0.1546
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0138 0.1924
Plasmodium vivax ataxin-2 like protein, putative 0.0046 0.0193 0.7553
Brugia malayi Carboxylesterase family protein 0.0632 0.3396 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.0701 1
Brugia malayi hypothetical protein 0.0301 0.1588 0.4674
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0191 0.0556
Brugia malayi CXXC zinc finger family protein 0.0035 0.0132 0.0388
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0011 0.0002 0.0002
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0051 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0191 0.0556
Trypanosoma brucei PAB1-binding protein , putative 0.0046 0.0193 0.7553
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0019 0.0046 0.0136
Echinococcus granulosus lamin 0.0059 0.0263 0.0772
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.036 0.106
Echinococcus granulosus tar DNA binding protein 0.0076 0.036 0.1058
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0009 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.1818
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0664 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0009 0.0024
Onchocerca volvulus 0.0059 0.0263 0.1643
Echinococcus granulosus metabotropic glutamate receptor 5 0.0057 0.0254 0.0747
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0051 0.0118
Brugia malayi metabotropic glutamate receptor type 2 0.0057 0.0254 0.0749
Onchocerca volvulus 0.0107 0.0526 0.3302
Onchocerca volvulus 0.0107 0.0526 0.3302
Schistosoma mansoni gliotactin 0.0107 0.0526 0.1542
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0051 0.0289
Brugia malayi steroid hormone receptor 0.0012 0.0009 0.0026
Echinococcus multilocularis para nitrobenzyl esterase 0.0107 0.0526 0.0525
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0009 0.0019
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0051 0.277
Schistosoma mansoni metabotropic glutamate receptor 0.0057 0.0254 0.0742
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.0664 0.0663
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.0664 0.5382
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0115 0.0335
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0011 0.0002 0.0002
Schistosoma mansoni intermediate filament proteins 0.0059 0.0263 0.0767
Onchocerca volvulus 0.0036 0.0138 0.0857
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0009 0.0026
Entamoeba histolytica hypothetical protein 0.0043 0.018 1
Schistosoma mansoni cpg binding protein 0.0037 0.0142 0.0413
Loa Loa (eye worm) carboxylesterase 0.0107 0.0526 0.1546
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.018 0.0522
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0241 0.1702
Echinococcus granulosus acetylcholinesterase 0.0632 0.3396 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0005
Loa Loa (eye worm) RNA binding protein 0.0076 0.036 0.1058
Echinococcus granulosus cpg binding protein 0.0037 0.0142 0.0417
Trypanosoma cruzi PAB1-binding protein , putative 0.0046 0.0193 0.7998
Echinococcus granulosus GPCR family 3 C terminal 0.0019 0.0046 0.0133
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0005
Echinococcus multilocularis cpg binding protein 0.0037 0.0142 0.0142
Trichomonas vaginalis esterase, putative 0.0036 0.0138 0.1924
Echinococcus multilocularis carboxylesterase 5A 0.0632 0.3396 0.3396
Mycobacterium tuberculosis Conserved protein 0.0036 0.0138 0.0804
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0009 0.0026
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0018 0.0054
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0487 0.1435
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0115 0.0114
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0002 0.0002
Echinococcus granulosus atrial natriuretic peptide receptor 0.0011 0.0002 0.0005
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0051 0.0289
Schistosoma mansoni tar DNA-binding protein 0.0076 0.036 0.1054
Echinococcus granulosus BC026374 protein S09 family 0.0107 0.0526 0.1546
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Mycobacterium tuberculosis Probable reductase 0.0125 0.0625 0.5038
Brugia malayi Carboxylesterase family protein 0.0107 0.0526 0.1548
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0021 0.0055 0.0159
Schistosoma mansoni hypothetical protein 0.0021 0.0055 0.0155
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.0657
Echinococcus multilocularis tyrosine kinase 0.0011 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0107 0.0526 0.1546
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0009 0.0041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0009 0.0024
Brugia malayi ecdysteroid receptor 0.0012 0.0009 0.0026
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0664 1
Echinococcus multilocularis receptor type guanylyl cyclase 0.0011 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0058 0.0257 0.0754
Echinococcus granulosus neuroligin 0.0107 0.0526 0.1546
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0009 0.0008
Brugia malayi hypothetical protein 0.0043 0.018 0.0529
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0009 0.0024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0191 0.0563
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0051 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0097 0.0283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0009 0.0024
Toxoplasma gondii thioredoxin reductase 0.0055 0.0241 0.3162
Echinococcus multilocularis neuroligin 0.0107 0.0526 0.0525
Schistosoma mansoni cpg binding protein 0.0037 0.0142 0.0413
Loa Loa (eye worm) hypothetical protein 0.003 0.0106 0.0311
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0138 0.0137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0191 0.019
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0011 0.0002 0.0007
Mycobacterium tuberculosis Carboxylesterase LipT 0.0107 0.0526 0.4178
Loa Loa (eye worm) TAR-binding protein 0.0076 0.036 0.1058
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0009 0.0026
Schistosoma mansoni tar DNA-binding protein 0.0076 0.036 0.1054
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.0657
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0138 0.0804
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0002 0.0005
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.0664 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.003 0.0106 0.0311
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0241 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.0625 0.5038
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0009 0.0026
Loa Loa (eye worm) hypothetical protein 0.0046 0.0193 0.0567
Brugia malayi hypothetical protein 0.0107 0.0526 0.1548
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0046 0.0135
Trypanosoma cruzi PAB1-binding protein , putative 0.0046 0.0193 0.7998
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0009 0.0026
Brugia malayi beta-lactamase family protein 0.0036 0.0138 0.0407
Echinococcus multilocularis acetylcholinesterase 0.0632 0.3396 0.3396
Loa Loa (eye worm) hypothetical protein 0.0301 0.1588 0.4673
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0011 0.0002 0.0002
Schistosoma mansoni ap endonuclease 0.002 0.0051 0.0145
Schistosoma mansoni acetylcholinesterase 0.0107 0.0526 0.1542
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0051 0.0289
Echinococcus multilocularis nmda type glutamate receptor 0.0011 0.0002 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0076 0.036 0.1054
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.018 0.0527
Brugia malayi beta-lactamase 0.0036 0.0138 0.0407
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0005
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.036 0.1058
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0405
Schistosoma mansoni hypothetical protein 0.0537 0.2879 0.8476
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0241 0.0708
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0191 0.0561
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0009 0.0024
Schistosoma mansoni hypothetical protein 0.0032 0.0115 0.0331
Schistosoma mansoni BC026374 protein (S09 family) 0.0107 0.0526 0.1542
Schistosoma mansoni lamin 0.0059 0.0263 0.0767
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0009 0.0026
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0021 0.0055 0.0054
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0405
Toxoplasma gondii ABC1 family protein 0.0036 0.0138 0.1494
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0107 0.0526 0.1542
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0009 0.0024
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0009 0.0019
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.0701 0.5701
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0051 0.2055
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0009 0.0026
Leishmania major hypothetical protein, conserved 0.0046 0.0193 0.2888
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0405
Brugia malayi Carboxylesterase family protein 0.0632 0.3396 1
Onchocerca volvulus 0.0107 0.0526 0.3302
Echinococcus granulosus nmda type glutamate receptor 0.0011 0.0002 0.0005
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0107 0.0526 1
Echinococcus granulosus receptor type guanylyl cyclase 0.0011 0.0002 0.0005
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0138 0.0804
Loa Loa (eye worm) RGC/RGC protein kinase 0.0011 0.0002 0.0005
Plasmodium falciparum ataxin-2 like protein, putative 0.0046 0.0193 0.7553
Echinococcus multilocularis BC026374 protein (S09 family) 0.0107 0.0526 0.0525
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.003 0.0106 0.0311
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0009 0.0026
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0046 0.0128
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0009 0.0019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0115 0.0338
Echinococcus multilocularis tar DNA binding protein 0.0076 0.036 0.0359
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0046 0.0657
Schistosoma mansoni coup transcription factor 0.0012 0.0009 0.0019
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0487 0.1433
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0107 0.0526 0.4178
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0009 0.0008
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0138 0.0804
Schistosoma mansoni neuroligin 3 (S09 family) 0.0107 0.0526 0.1542
Brugia malayi Thioredoxin reductase 0.0055 0.0241 0.071
Schistosoma mansoni hypothetical protein 0.0032 0.0115 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0009 0.0024
Brugia malayi glutathione reductase 0.0055 0.0241 0.071
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0138 0.0804
Loa Loa (eye worm) glutamate receptor 0.0046 0.0194 0.0569
Brugia malayi intermediate filament protein 0.0059 0.0263 0.0774
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0009 0.0041
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0115 0.0338
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0009 0.0026
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0009 0.0024
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0051 0.0149
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0009 0.0008
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0009 0.0008
Schistosoma mansoni cpg binding protein 0.0035 0.0132 0.0381
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.0625 0.5038
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0138 0.0407
Toxoplasma gondii LsmAD domain-containing protein 0.0046 0.0193 0.2388
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0009 0.0019
Echinococcus multilocularis GPCR, family 2 0.0032 0.0115 0.0114
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.0664 0.195
Echinococcus multilocularis lamin 0.0059 0.0263 0.0262
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0019 0.0046 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0009 0.0026
Brugia malayi Receptor family ligand binding region containing protein 0.0011 0.0002 0.0007
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0059 0.0263 0.0772
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.0032 0.0115 0.0335
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0107 0.0526 0.1542
Echinococcus granulosus intermediate filament protein 0.0059 0.0263 0.0772
Brugia malayi Receptor family ligand binding region containing protein 0.003 0.0106 0.0313
Loa Loa (eye worm) hypothetical protein 0.01 0.0487 0.1433
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0009 0.0019
Brugia malayi hypothetical protein 0.0011 0.0002 0.0007
Loa Loa (eye worm) hypothetical protein 0.0107 0.0526 0.1546
Onchocerca volvulus 0.0036 0.0138 0.0857
Plasmodium falciparum ataxin-2 like protein, putative 0.0046 0.0193 0.7553
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0009 0.0019
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0046 0.1818
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0009 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0115 0.0335
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0315 0.0927
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0009 0.0019
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.0701 0.5701
Onchocerca volvulus 0.0036 0.0138 0.0857
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.0664 0.1953
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0009 0.0024
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0138 0.1924
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0138 0.1924
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.018 0.0179
Schistosoma mansoni ap endonuclease 0.002 0.0051 0.0145
Toxoplasma gondii exonuclease III APE 0.002 0.0051 0.0091
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0009 0.0026
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0097 0.0096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0191 0.0561
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0747
Echinococcus granulosus para nitrobenzyl esterase 0.0107 0.0526 0.1546
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0051 0.0049
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0009 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.1818
Mycobacterium tuberculosis Conserved protein 0.0036 0.0138 0.0804
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0005
Brugia malayi hypothetical protein 0.0046 0.0193 0.0569
Loa Loa (eye worm) carboxylesterase 0.0632 0.3396 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.0625 0.5038
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0138 0.5684
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0632 0.3396 1
Schistosoma mansoni hypothetical protein 0.0407 0.2167 0.6377
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0138 0.0804
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0046 0.1818
Echinococcus granulosus GPCR family 2 0.0032 0.0115 0.0335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0191 0.0556
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0107 0.0526 0.4178
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0107 0.0526 0.1546
Loa Loa (eye worm) hypothetical protein 0.0068 0.0315 0.0925
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0051 0.0051
Entamoeba histolytica hypothetical protein 0.0043 0.018 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0051 0.0742
Echinococcus multilocularis geminin 0.0537 0.2879 0.2879
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0002 0.0005
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.0625 0.5038
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.0625 0.8646
Loa Loa (eye worm) hypothetical protein 0.0632 0.3396 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0051 0.0149
Echinococcus multilocularis glutamate receptor 2 0.0011 0.0002 0.0002
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0051 0.0151
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0114 0.0335
Echinococcus granulosus glutamate receptor 2 0.0011 0.0002 0.0005
Onchocerca volvulus 0.0035 0.0132 0.0816
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0107 0.0526 0.0525
Schistosoma mansoni tar DNA-binding protein 0.0076 0.036 0.1054
Brugia malayi nuclear receptor NHR-88 0.0012 0.0009 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0009 0.0026
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.0625 0.5038
Mycobacterium ulcerans beta-lactamase 0.0036 0.0138 0.1494
Trichomonas vaginalis spcc417.12 protein, putative 0.0107 0.0526 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0051 0.0118
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0138 0.0405
Leishmania major trypanothione reductase 0.0055 0.0241 0.3611
Echinococcus granulosus metabotropic glutamate receptor 2 0.0011 0.0002 0.0005
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0046 0.0045
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0138 0.0804
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0405
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Loa Loa (eye worm) acetylcholinesterase 1 0.0632 0.3396 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0009 0.0024
Brugia malayi RNA binding protein 0.0076 0.036 0.106
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0009 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0191 0.019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0191 0.0561
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0051 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0009 0.0024
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0487 0.1435
Onchocerca volvulus 0.0059 0.0263 0.1643
Brugia malayi Metabotropic glutamate receptor precursor. 0.003 0.0106 0.0313
Loa Loa (eye worm) glutathione reductase 0.0055 0.0241 0.0708
Schistosoma mansoni tar DNA-binding protein 0.0076 0.036 0.1054
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0138 0.4725
Onchocerca volvulus 0.0012 0.0009 0.0041
Brugia malayi Intermediate filament tail domain containing protein 0.0059 0.0263 0.0774
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0009 0.0026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0344 0.1007
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0138 0.04
Brugia malayi Carboxylesterase family protein 0.0107 0.0526 0.1548
Entamoeba histolytica hypothetical protein 0.0043 0.018 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0107 0.0526 0.1546
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0057 0.0254 0.0254
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.1818
Loa Loa (eye worm) hypothetical protein 0.0107 0.0526 0.1546
Brugia malayi TAR-binding protein 0.0076 0.036 0.106
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0405
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0138 0.0405
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0107 0.0526 0.1542
Echinococcus granulosus carboxylesterase 5A 0.0632 0.3396 1
Brugia malayi nuclear hormone receptor 0.0012 0.0009 0.0026
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0005
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0046 0.1818
Mycobacterium ulcerans carboxylesterase, LipT 0.0107 0.0526 0.7764
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0009 0.0019
Schistosoma mansoni hypothetical protein 0.0032 0.0115 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0009 0.0024
Schistosoma mansoni hypothetical protein 0.0537 0.2879 0.8476
Loa Loa (eye worm) carboxylesterase 0.0107 0.0526 0.1546
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0107 0.0526 0.1546
Loa Loa (eye worm) RGC/RGC protein kinase 0.0011 0.0002 0.0005
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0241 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0138 0.1494
Brugia malayi beta-lactamase family protein 0.0036 0.0138 0.0407
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0138 0.1494
Onchocerca volvulus Poor gastrulation protein homolog 0.0019 0.0046 0.0276
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0132 0.0385
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0009 0.0024
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0046 0.0194 0.0565
Loa Loa (eye worm) hypothetical protein 0.0027 0.0091 0.0266
Echinococcus granulosus tyrosine kinase 0.0011 0.0002 0.0005
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0051 0.0091
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0011 0.0002 0.0005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0115 0.0114
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0009 0.0019
Echinococcus granulosus glutamate receptor 2 0.0011 0.0002 0.0005
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.1195 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0024
Echinococcus multilocularis GPCR, family 3, C terminal 0.0019 0.0046 0.0045
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0002 0.0005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0046 0.1818
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.0664 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0009 0.0008
Onchocerca volvulus 0.0107 0.0526 0.3302
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0005
Plasmodium falciparum thioredoxin reductase 0.0055 0.0241 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0138 0.0405
Loa Loa (eye worm) hypothetical protein 0.0632 0.3396 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0263 0.0772
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0046 0.0657
Onchocerca volvulus 0.0301 0.1588 1
Schistosoma mansoni hypothetical protein 0.0068 0.0315 0.0921

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.