Detailed information for compound 1397378

Basic information

Technical information
  • TDR Targets ID: 1397378
  • Name: N-(1H-benzimidazol-2-yl)benzenesulfonamide
  • MW: 273.31 | Formula: C13H11N3O2S
  • H donors: 2 H acceptors: 3 LogP: 2.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1ccccc1)Nc1nc2c([nH]1)cccc2
  • InChi: 1S/C13H11N3O2S/c17-19(18,10-6-2-1-3-7-10)16-13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H2,14,15,16)
  • InChiKey: QPSNJOBQYYGDNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 13068-57-0
  • AG-690/33051062
  • BAS 08978826
  • Benzenesulfonamide, N-1H-benzimidazol-2-yl-
  • Benzenesulfonamide, N-2-benzimidazolyl-
  • N-1H-Benzimidazol-2-ylbenzenesulfonamide
  • N-2-Benzimidazolyl-benzenesulfonamide
  • N-(1H-Benzoimidazol-2-yl)-benzenesulfonamide
  • MLS000034386
  • 1L-350S
  • SMR000015035

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cytochrome P450, putative 0.0084 0.085 1
Echinococcus multilocularis voltage gated potassium channel 0.0102 0.1392 0.1545
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0527 0.0527
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0069 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0304 0.7597 0.8428
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0084 0.085 1
Brugia malayi Cytochrome P450 family protein 0.0084 0.085 0.0943
Loa Loa (eye worm) hypothetical protein 0.0069 0.0407 0.0451
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0069 0.0407 0.0407
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.085 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0069 0.0407 0.0407
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0069 0.0407 0.0451
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0527 0.62
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0351 0.9014 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0069 0.0407 0.0407
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0328 0.8308 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0069 0.0407 0.0451
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0102 0.1392 0.1545
Echinococcus multilocularis hyperpolarization activated cyclic 0.0069 0.0407 0.0451
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0351 0.9014 1
Schistosoma mansoni voltage-gated potassium channel 0.0102 0.1392 0.1392
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0069 0.0407 0.0451
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0102 0.1392 0.1545
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0527 1
Brugia malayi Cytochrome P450 family protein 0.0177 0.3702 0.4107
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0069 0.0407 0.0451
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0527 0.62
Loa Loa (eye worm) hypothetical protein 0.0102 0.1392 0.1545
Loa Loa (eye worm) CYP4Cod1 0.0084 0.085 0.0943
Brugia malayi Cytochrome P450 family protein 0.0084 0.085 0.0943
Leishmania major cytochrome p450-like protein 0.0084 0.085 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0069 0.0407 0.0451
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0527 0.62
Echinococcus granulosus voltage gated potassium channel 0.0102 0.1392 0.1545
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0069 0.0407 0.0451
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0527 0.0585
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.085 0.0943
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0527 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0328 0.8308 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0069 0.0407 0.0451
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0527 0.0527
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0069 0.0407 0.0407
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0102 0.1392 0.1545
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0527 0.62
Schistosoma mansoni voltage-gated potassium channel 0.0102 0.1392 0.1392
Echinococcus multilocularis hyperpolarization activated cyclic 0.0069 0.0407 0.0451
Echinococcus granulosus hyperpolarization activated cyclic 0.0069 0.0407 0.0451
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.085 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0069 0.0407 0.0451
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0351 0.9014 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0177 0.3702 0.4107
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0069 0.0407 0.0451
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0527 0.0585
Schistosoma mansoni voltage-gated potassium channel 0.0069 0.0407 0.0407
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.085 0.0943
Brugia malayi Cyclic-nucleotide gated cation channel 0.0069 0.0407 0.0451
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0351 0.9014 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0069 0.0407 0.0451

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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