Detailed information for compound 1287968

Basic information

Technical information
  • TDR Targets ID: 1287968
  • Name: N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfon yl-N-(4-methoxyphenyl)-2-methylbenzamide
  • MW: 465.522 | Formula: C24H23N3O5S
  • H donors: 0 H acceptors: 4 LogP: 3.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)c1ccccc1C
  • InChi: 1S/C24H23N3O5S/c1-16-7-5-6-8-20(16)23(28)27(17-9-11-18(32-4)12-10-17)33(30,31)19-13-14-21-22(15-19)26(3)24(29)25(21)2/h5-15H,1-4H3
  • InChiKey: XTZZAVASPGBCTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methyl-benzamide
  • N-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfonyl]-N-(4-methoxyphenyl)-2-methylbenzamide
  • N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methyl-benzamide
  • NCGC00101832-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0039 0.0181 0.2803
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0003 0.0003
Plasmodium vivax thioredoxin reductase, putative 0.0114 0.0645 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0181 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0003 0.0003
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0204 0.1207 0.1207
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0257 0.0257
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0003 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0222 0.0222
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0326 0.0326
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0003 0.0003
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0003 0.0003
Toxoplasma gondii NADPH-glutathione reductase 0.0039 0.0181 0.2803
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0003 0.0003
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0039 0.0181 0.2803
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0489 0.298 0.2985
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Plasmodium falciparum thioredoxin reductase 0.0039 0.0181 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0039 0.0181 0.2803
Loa Loa (eye worm) hypothetical protein 0.0486 0.2965 0.297
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0003 0.0003
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0003 0.0003
Trypanosoma brucei trypanothione reductase 0.0114 0.0645 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.2803
Brugia malayi steroid hormone receptor 0.0011 0.0003 0.0003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0222 0.0222
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0039 0.0181 0.2803
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0222 0.0222
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0489 0.298 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0039 0.0181 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.0003 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0222 0.0222
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0003 0.0003
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0302 0.0302
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.0606
Echinococcus granulosus thioredoxin glutathione reductase 0.0115 0.0654 0.0654
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.0606
Trichomonas vaginalis mercuric reductase, putative 0.0039 0.0181 1
Schistosoma mansoni hypothetical protein 0.0315 0.1897 0.1897
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0039 0.0181 0.0181
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0204 0.1207 0.1207
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0257 0.0257
Echinococcus granulosus tar DNA binding protein 0.0063 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0003 0.0003
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0039 0.0181 0.0606
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0003 0.0003
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0029 0.0115 0.0115
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0257 0.0258
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0257 1
Plasmodium falciparum glutathione reductase 0.0039 0.0181 0.2803
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0003 0.0003
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0003 0.0003
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.2803
Brugia malayi glutathione reductase 0.0114 0.0645 0.0645
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0003 0.0003
Schistosoma mansoni coup transcription factor 0.0011 0.0003 0.0003
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0039 0.0181 0.2803
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0326 0.0326
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0289 0.1735 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0677 0.0678
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0003 0.0003
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0003 0.0003
Treponema pallidum NADH oxidase 0.0039 0.0181 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.0326 0.0326
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0003 0.0003
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0257 0.0257
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0003 0.0003
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0003 0.012
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0003 0.0003
Brugia malayi Thioredoxin reductase 0.0114 0.0645 0.0645
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0222 0.0222
Brugia malayi RNA binding protein 0.0063 0.0326 0.0326
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0257 0.0257
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0326 0.0326
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0003 0.0003
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0039 0.0181 0.0606
Schistosoma mansoni hypothetical protein 0.0513 0.3133 0.3133
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0289 0.1735 1
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0181 0.0606
Brugia malayi ecdysteroid receptor 0.0011 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0326 0.0326
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0003 0.0003
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0003 0.0003
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0039 0.0181 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0003 0.0003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0222 0.0222
Trichomonas vaginalis glutathione reductase, putative 0.0039 0.0181 1
Loa Loa (eye worm) thioredoxin reductase 0.0114 0.0645 0.0646
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0257 0.0257
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0003 0.0003
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.1613 0.9985 1
Brugia malayi TAR-binding protein 0.0063 0.0326 0.0326
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0114 0.0645 0.3716
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Mycobacterium tuberculosis Putative ferredoxin reductase 0.026 0.1554 0.8958
Mycobacterium tuberculosis Probable dehydrogenase 0.026 0.1554 0.8958
Leishmania major trypanothione reductase 0.0114 0.0645 1
Brugia malayi mbt repeat family protein 0.0052 0.0257 0.0257
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0302 0.0302
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0326 0.0326
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0003 0.0003
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.026 0.1554 0.8958
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0003 0.0003
Mycobacterium tuberculosis Probable reductase 0.026 0.1554 0.8958
Brugia malayi mbt repeat family protein 0.0052 0.0257 0.0257
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0326 0.0326
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0302 0.0302
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0039 0.0181 0.0181
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0326 0.0326
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0059 0.0302 0.0303
Echinococcus multilocularis geminin 0.0513 0.3133 0.3133
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0003 0.012
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0039 0.0181 0.2803
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0003 0.0003
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0003 0.0003
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0039 0.0181 0.2803
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0039 0.0181 1
Toxoplasma gondii thioredoxin reductase 0.0114 0.0645 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.0606
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0003 0.0003
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0257 0.0257
Onchocerca volvulus 0.0052 0.0257 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0003 0.0003
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0029 0.0115 0.0115
Loa Loa (eye worm) glutathione reductase 0.0114 0.0645 0.0646
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0257 0.0257
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0003 0.0003
Brugia malayi nuclear hormone receptor 0.0011 0.0003 0.0003
Giardia lamblia NADH oxidase lateral transfer candidate 0.0039 0.0181 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0039 0.0181 0.2803
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0222 0.0222
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0039 0.0181 0.2803
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0003 0.0003
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0677 0.0678
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0003 0.0003
Echinococcus multilocularis thioredoxin glutathione reductase 0.0115 0.0654 0.0654
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0222 0.0222
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0302 0.0302
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0003 0.0003
Plasmodium falciparum thioredoxin reductase 0.0114 0.0645 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5127 0.5127
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.026 0.1554 0.8958
Trypanosoma cruzi trypanothione reductase, putative 0.0114 0.0645 0.2163
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0039 0.0181 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0222 0.0222
Plasmodium vivax glutathione reductase, putative 0.0114 0.0645 1
Plasmodium falciparum glutathione reductase 0.0114 0.0645 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5127 0.5127
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0181 1
Loa Loa (eye worm) MBCTL1 0.0059 0.0302 0.0303
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0513 0.3133 0.3133
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.0606
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0039 0.0181 0.0181
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0003 0.012
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0289 0.1735 1
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0003 0.0003
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0003 0.0003
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0302 0.0302
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5127 0.5127
Echinococcus granulosus geminin 0.0513 0.3133 0.3133
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0934 0.5752 0.5752
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0003 0.0003
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0039 0.0181 0.2803
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.0003
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0039 0.0181 0.2803
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0003 0.0003
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0039 0.0181 0.1042
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.026 0.1554 0.8958
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0326 0.0326
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0003 0.0003
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0003 0.0003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0003 0.0003
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0003 0.0003
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0039 0.0181 0.0181
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0489 0.298 1
Brugia malayi MH2 domain containing protein 0.0119 0.0677 0.0677
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0003 0.0003
Mycobacterium tuberculosis Probable oxidoreductase 0.0289 0.1735 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0181 0.0606
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0003 0.0003
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.026 0.1554 0.8958
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0052 0.0257 0.0258
Onchocerca volvulus 0.0011 0.0003 0.012

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2512 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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.

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