Detailed information for compound 952383

Basic information

Technical information
  • TDR Targets ID: 952383
  • Name: N-[2-chloro-4-(phenylsulfonylamino)phenyl]ben zenesulfonamide
  • MW: 422.906 | Formula: C18H15ClN2O4S2
  • H donors: 2 H acceptors: 4 LogP: 3.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(ccc1NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C18H15ClN2O4S2/c19-17-13-14(20-26(22,23)15-7-3-1-4-8-15)11-12-18(17)21-27(24,25)16-9-5-2-6-10-16/h1-13,20-21H
  • InChiKey: VMBXKJCIFLCWNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5465-40-7
  • 5158-54-3
  • NSC29006
  • ZINC01232932

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
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
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
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
Loa Loa (eye worm) transcription factor SMAD2 0.1008 1 1
Loa Loa (eye worm) hypothetical protein 0.0519 0.4996 0.4996
Loa Loa (eye worm) TAR-binding protein 0.0322 0.2979 0.2979
Loa Loa (eye worm) hypothetical protein 0.0038 0.0075 0.0075
Brugia malayi RNA recognition motif domain containing protein 0.0322 0.2979 0.2979
Echinococcus multilocularis Smad4 0.0069 0.0389 0.1305
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0164 0.1366 0.4586
Onchocerca volvulus 0.0587 0.5695 1
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0000060086 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0000060086 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0164 0.1366 0.1366
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0164 0.1366 0.1366
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0000060086 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.1366 0.2634
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0371 0.3479 0.6109
Brugia malayi MH1 domain containing protein 0.0069 0.0389 0.0389
Brugia malayi Latrophilin receptor protein 2 0.0164 0.1366 0.1366
Schistosoma mansoni tar DNA-binding protein 0.0322 0.2979 0.5743
Schistosoma mansoni smad1 5 8 and 0.0069 0.0389 0.0749
Loa Loa (eye worm) hypothetical protein 0.0587 0.5695 0.5695
Echinococcus multilocularis GPCR, family 2 0.0164 0.1366 0.4586
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0000060086 0.5
Brugia malayi RNA binding protein 0.0322 0.2979 0.2979
Loa Loa (eye worm) hypothetical protein 0.0371 0.3479 0.3479
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0000060086 0.5
Mycobacterium ulcerans glutaminase 0.0537 0.5187 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0069 0.0389 0.1305
Loa Loa (eye worm) RNA binding protein 0.0322 0.2979 0.2979
Brugia malayi isocitrate dehydrogenase 0.0031 0.0000060086 0.0000060086
Brugia malayi Smad1 0.0069 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0164 0.1366 0.2634
Brugia malayi MH1 domain containing protein 0.0038 0.0075 0.0075
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0000060086 0.5
Schistosoma mansoni tar DNA-binding protein 0.0322 0.2979 0.5743
Trichomonas vaginalis glutaminase, putative 0.0537 0.5187 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0069 0.0389 0.1305
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0069 0.0389 0.0749
Schistosoma mansoni glutaminase 0.0537 0.5187 1
Loa Loa (eye worm) hypothetical protein 0.0355 0.3316 0.3316
Schistosoma mansoni tar DNA-binding protein 0.0322 0.2979 0.5743
Brugia malayi hypothetical protein 0.0587 0.5695 0.5695
Schistosoma mansoni tar DNA-binding protein 0.0322 0.2979 0.5743
Brugia malayi MH2 domain containing protein 0.0069 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0089 0.0592 0.0592
Loa Loa (eye worm) glutaminase 0.0537 0.5187 0.5187
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0164 0.1366 0.4586
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0000060086 0.0000060086
Brugia malayi hypothetical protein 0.0089 0.0592 0.0592
Brugia malayi N-terminal motif family protein 0.0371 0.3479 0.3479
Schistosoma mansoni hypothetical protein 0.0164 0.1366 0.2634
Schistosoma mansoni hypothetical protein 0.0164 0.1366 0.2634
Schistosoma mansoni smad1 5 8 and 0.0069 0.0389 0.0749
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0000060086 0.0000060086
Brugia malayi latrophilin 2 splice variant baaae 0.0355 0.3316 0.3316
Echinococcus multilocularis smad 0.0069 0.0389 0.1305
Echinococcus granulosus tar DNA binding protein 0.0322 0.2979 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0000060086 0.5
Brugia malayi TAR-binding protein 0.0322 0.2979 0.2979
Schistosoma mansoni hypothetical protein 0.0355 0.3316 0.6393
Schistosoma mansoni Smad4 0.0069 0.0389 0.0749
Echinococcus granulosus smad 0.0069 0.0389 0.1305
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0164 0.1366 0.4586
Schistosoma mansoni smad 0.0069 0.0389 0.0749
Brugia malayi glutaminase DH11.1 0.0537 0.5187 0.5187
Echinococcus multilocularis mothers against decapentaplegic 5 0.0069 0.0389 0.1305
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0519 0.4996 0.4996
Loa Loa (eye worm) Smad1 0.0069 0.0389 0.0389
Loa Loa (eye worm) glutaminase 2 0.0537 0.5187 0.5187
Brugia malayi MH1 domain containing protein 0.0069 0.0389 0.0389
Loa Loa (eye worm) MH2 domain-containing protein 0.1008 1 1
Schistosoma mansoni tar DNA-binding protein 0.0322 0.2979 0.5743
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0000060086 0.5
Echinococcus granulosus GPCR family 2 0.0164 0.1366 0.4586
Loa Loa (eye worm) nuclear factor I 0.0038 0.0075 0.0075
Loa Loa (eye worm) MH2 domain-containing protein 0.0069 0.0389 0.0389
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0519 0.4996 0.4996
Echinococcus granulosus Smad4 0.0069 0.0389 0.1305
Loa Loa (eye worm) hypothetical protein 0.0089 0.0592 0.0592
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0000060086 0.5
Brugia malayi MH2 domain containing protein 0.0069 0.0389 0.0389
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0000060086 0.5
Brugia malayi MH1 domain containing protein 0.0038 0.0075 0.0075
Schistosoma mansoni smad1 5 8 and 0.0069 0.0389 0.0749
Brugia malayi Calcitonin receptor-like protein seb-1 0.0519 0.4996 0.4996
Echinococcus multilocularis tar DNA binding protein 0.0322 0.2979 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0164 0.1366 0.4586
Echinococcus granulosus TGF beta signal transducer SmadC 0.0069 0.0389 0.1305
Schistosoma mansoni eyes absent homolog 0.0089 0.0592 0.1142
Loa Loa (eye worm) MH1 domain-containing protein 0.0069 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0164 0.1366 0.1366
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0322 0.2979 0.2979

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of human AchE using acetylthiocholine as substrate by spectrophotometric multiwell plate assay ChEMBL. 19534556
Activity (binding) Inhibition of human BchE using butyrylthiocholine as substrate by spectrophotometric multiwell plate assay ChEMBL. 19534556
Ki (binding) > 100000 nM Inhibition of human liver CE1-mediated O-nitrophenyl acetate hydrolysis by spectrophotometry ChEMBL. 19534556
Potency (functional) 2.2387 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) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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