Detailed information for compound 1432861

Basic information

Technical information
  • TDR Targets ID: 1432861
  • Name: N-(1H-benzimidazol-2-yl)naphthalene-2-sulfona mide
  • MW: 323.369 | Formula: C17H13N3O2S
  • H donors: 2 H acceptors: 3 LogP: 3.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1ccc2c(c1)cccc2)Nc1nc2c([nH]1)cccc2
  • InChi: 1S/C17H13N3O2S/c21-23(22,14-10-9-12-5-1-2-6-13(12)11-14)20-17-18-15-7-3-4-8-16(15)19-17/h1-11H,(H2,18,19,20)
  • InChiKey: BEROWXFCKFZECS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1H-benzimidazol-2-yl)-2-naphthalenesulfonamide
  • BAS 08978832
  • Naphthalene-2-sulfonic acid (1H-benzoimidazol-2-yl)-amide
  • MLS000123927
  • SMR000124481
  • Enamine_005180
  • ZINC04439782

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1361 0.1361
Schistosoma mansoni d-amino acid oxidase 0.1769 1 1
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0147 0.077 0.0596
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0178 0.231
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0147 0.077 0.077
Loa Loa (eye worm) hypothetical protein 0.0147 0.077 0.077
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0147 0.077 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0136 0.0997
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0178 0.231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0136 0.0136
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0147 0.077 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0147 0.077 0.5
Onchocerca volvulus Putative fad oxidoreductase 0.0147 0.077 0.4939
Schistosoma mansoni fad oxidoreductase 0.0147 0.077 0.077
Leishmania major hypothetical protein, conserved 0.0147 0.077 1
Onchocerca volvulus 0.0036 0.0136 0.0871
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0178 0.0178
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0147 0.077 0.077
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0136 0.0136
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0147 0.077 1
Schistosoma mansoni fad oxidoreductase 0.0147 0.077 0.077
Brugia malayi Inositol-1 0.0045 0.0184 0.1355
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0147 0.077 0.5656
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0147 0.077 0.0622
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0147 0.077 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0136 0.1763
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0147 0.077 1
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0147 0.077 0.0622
Loa Loa (eye worm) hypothetical protein 0.0147 0.077 0.077
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0147 0.077 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0184 0.0111
Leishmania major hypothetical protein, conserved 0.0147 0.077 1
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0147 0.077 0.068
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0147 0.077 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0147 0.077 1
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0147 0.077 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0128 0.1665
Loa Loa (eye worm) hypothetical protein 0.0036 0.0136 0.0136
Brugia malayi Pre-SET motif family protein 0.0251 0.1361 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0147 0.077 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0147 0.077 1
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0147 0.077 0.5656
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0136 0.1763
Toxoplasma gondii hypothetical protein 0.0147 0.077 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.077 0.077
Mycobacterium ulcerans D-amino acid oxidase Aao 0.1769 1 1
Loa Loa (eye worm) inositol-1 0.0045 0.0184 0.0184
Schistosoma mansoni NAD dehydrogenase 0.0147 0.077 0.077
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0147 0.077 0.4939
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1622 0.9161 1
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0147 0.077 1
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0147 0.077 0.0596
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0184 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0147 0.077 1
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0147 0.077 1
Brugia malayi hypothetical protein 0.0043 0.0178 0.1306
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0147 0.077 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0184 0.0768
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0147 0.077 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0147 0.077 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0136 0.0136
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0147 0.077 0.0596
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0147 0.077 0.4939
Brugia malayi cDNA sequence BC016226 0.0147 0.077 0.5656
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0184 0.2395
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0147 0.077 0.0596
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1559 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0147 0.077 1
Onchocerca volvulus 0.0286 0.1559 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0184 0.2395
Brugia malayi RE18450p 0.0147 0.077 0.5656
Schistosoma mansoni inositol monophosphatase 0.0045 0.0184 0.0184
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0136 0.1763
Schistosoma mansoni hypothetical protein 0.0043 0.0178 0.0178
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0147 0.077 1
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0147 0.077 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0136 0.0136
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0147 0.077 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0147 0.077 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.1769 1 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0184 0.0184
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0147 0.077 0.5
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0147 0.077 0.077

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 1.7783 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) = 2.2387 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 199.5262 uM PubChem BioAssay. qHTS of D3 Dopamine Receptor Agonist: D3 Dopamine Receptor B-arrestin Agonist Confirmatory Assay. (Class of assay: confirmatory) 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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