Detailed information for compound 583760

Basic information

Technical information
  • TDR Targets ID: 583760
  • Name: 2-11-00-00220 (Beilstein Handbook Reference)
  • MW: 270.09 | Formula: C7H5Cl2NO4S
  • H donors: 1 H acceptors: 4 LogP: 1.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl
  • InChi: 1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
  • InChiKey: XPDVQPODLRGWPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(dichlorosulfamoyl)benzoic acid
  • 4-(N,N-Dichlorosulfamoyl)benzoic acid
  • 4-[(dichloroamino)sulfonyl]benzoic acid
  • 80-13-7
  • Benzoic acid, 4-((dichloroamino)sulfonyl)-
  • Benzoic acid, 4-[(dichloroamino)sulfonyl]-
  • Benzoic acid, p-(dichlorosulfamoyl)-
  • BRN 2740018
  • BSPBio_002094
  • Caswell No. 326
  • CCRIS 6243
  • Cloritines
  • D02446
  • D7044_SIGMA
  • DivK1c_000683
  • EINECS 201-253-1
  • EINECS 227-176-3
  • EPA Pesticide Chemical Code 077201
  • Halazon
  • halazone
  • Halazone (USP)
  • Halazone [INN]
  • Halazono [INN-Spanish]
  • Halazonum [INN-Latin]
  • IDI1_000683
  • KBio1_000683
  • KBio2_001319
  • KBio2_003887
  • KBio2_006455
  • KBio3_001314
  • KBioGR_000978
  • KBioSS_001319
  • Kyselina p-N,N-dichlorsulfamoylbenzoova [Czech]
  • NCGC00091225-02
  • NCGC00091225-03
  • NCGC00091225-01
  • NINDS_000683
  • NSC 60717
  • NSC60717
  • p-(Dichlorosulfamoyl)benzoic acid
  • p-(N,N-Dichlorosulfamoyl)benzoic acid
  • p-(N,N-Dichlorosulfamyl)benzoic acid
  • p-Carboxybenzenesulfondichloroamide
  • p-Dichlorosulfamoylbenzoic acid
  • p-Sulfondichloramidobenzoic acid
  • Pantocid
  • Pantocide
  • Pantosid
  • Pantotsid
  • Parasulfondichloramido benzoic acid
  • Pentocid
  • Sodium 4-((dichloroamino)sulphonyl)benzoate
  • SPBio_000739
  • SPECTRUM1500324
  • Spectrum2_000670
  • Spectrum3_000447
  • Spectrum4_000569
  • Spectrum5_000786
  • Spectrum_000839
  • WLN: QVR DSWNGG
  • Zeptabs

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
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
Brugia malayi nuclear hormone receptor 0.0009 0.0143 0.1593
Brugia malayi nuclear receptor RXR 0.0005 0.0015 0.0171
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0143 0.0143
Echinococcus multilocularis ceramide kinase 0.0013 0.0267 0.0267
Echinococcus granulosus cpg binding protein 0.0037 0.0956 0.0956
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0143 0.1593
Leishmania major diacylglycerol kinase, putative 0.0013 0.0267 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0267 0.0267
Trypanosoma cruzi Sphingosine kinase 0.0013 0.0267 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0143 0.1593
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0343 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Plasmodium falciparum diacylglycerol kinase, putative 0.0013 0.0267 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0143 0.0143
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0015 0.0015
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.2047 0.2047
Trypanosoma cruzi diacylglycerol kinase, putative 0.0013 0.0267 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0267 0.0267
Trichomonas vaginalis sphingosine kinase, putative 0.0013 0.0267 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0143 0.1593
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.019 0.019
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0143 0.0143
Onchocerca volvulus 0.0009 0.0143 0.1593
Brugia malayi ecdysteroid receptor 0.0009 0.0143 0.1593
Brugia malayi nuclear receptor NHR-88 0.0009 0.0143 0.1593
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0013 0.0267 0.0267
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0143 0.0143
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0143 0.0143
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0127 0.0127
Plasmodium vivax diacylglycerol kinase, putative 0.0013 0.0267 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0143 0.0143
Onchocerca volvulus 0.0013 0.0267 0.2972
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Echinococcus granulosus ceramide kinase 0.0013 0.0267 0.0267
Echinococcus granulosus Diacylglycerol kinase zeta 0.0013 0.0267 0.0267
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0143 0.0143
Brugia malayi Ceramide kinase 0.0013 0.0267 0.2972
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1815 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0013 0.0267 1
Onchocerca volvulus Bile acid receptor homolog 0.0009 0.0143 0.1593
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0015 0.0171
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0015
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0143 0.0143
Schistosoma mansoni cpg binding protein 0.0037 0.0956 0.0956
Schistosoma mansoni cpg binding protein 0.0037 0.0956 0.0956
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Echinococcus multilocularis Diacylglycerol kinase theta 0.0013 0.0267 0.0267
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0.0143 0.1593
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0143 0.0143
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0013 0.0267 0.0267
Echinococcus multilocularis cpg binding protein 0.0037 0.0956 0.0956
Trichomonas vaginalis sphingosine kinase, putative 0.0013 0.0267 1
Trypanosoma cruzi Sphingosine kinase 0.0013 0.0267 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0015 0.0015
Schistosoma mansoni diacylglycerol kinase theta 0.0013 0.0267 0.0267
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0013 0.0267 0.0267
Schistosoma mansoni diacylglycerol kinase theta 0.0013 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0127 0.0127
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0015 0.0015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0143 0.1593
Brugia malayi diacylglycerol kinase 0.0013 0.0267 0.2972
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0143 0.0143
Leishmania major sphingosine kinase A, B, putative 0.0013 0.0267 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.0898 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0015
Schistosoma mansoni coup transcription factor 0.0009 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0015
Loa Loa (eye worm) diacylglycerol kinase 2 0.0013 0.0267 0.0267
Loa Loa (eye worm) histone methyltransferase 0.0011 0.019 0.019
Echinococcus multilocularis sphingosine kinase 1 0.0343 1 1
Loa Loa (eye worm) ceramide kinase 0.0013 0.0267 0.0267
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0143 0.0143
Trypanosoma brucei hypothetical protein, conserved 0.0013 0.0267 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0143 0.1593
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0143 0.0143
Leishmania major hypothetical protein, conserved 0.0013 0.0267 0.5
Leishmania major diacylglycerol kinase-like protein 0.0013 0.0267 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0143 0.1593
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0127 0.0127
Brugia malayi hypothetical protein 0.0005 0.0015 0.0171
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0143 0.0143
Brugia malayi Diacylglycerol kinase protein 2 0.0013 0.0267 0.2972
Schistosoma mansoni sphingoid long chain base kinase 0.0343 1 1
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0013 0.0267 0.5
Trichomonas vaginalis bmru protein, putative 0.0013 0.0267 1
Trypanosoma brucei diacylglycerol kinase, putative 0.0013 0.0267 0.5
Leishmania major hypothetical protein, conserved 0.0013 0.0267 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0898 0.0898
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0143 0.0143
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0143 0.0143
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0186 0.2067
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0013 0.0267 1
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0143 0.0143
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0143 0.0143
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0143 0.0143
Trypanosoma cruzi diacylglycerol kinase, putative 0.0013 0.0267 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0143 0.1593
Brugia malayi steroid hormone receptor 0.0009 0.0143 0.1593
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0143 0.1593
Trichomonas vaginalis bmru protein, putative 0.0013 0.0267 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0143 0.0143
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0143 0.0143
Trichomonas vaginalis diacylglycerol kinase, putative 0.0013 0.0267 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0143 0.1593
Brugia malayi Eye-specific diacylglycerol kinase 0.0013 0.0267 0.2972
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0143 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0143 0.1593
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0.0143 0.1593
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0143 0.1593
Schistosoma mansoni hypothetical protein 0.0013 0.0267 0.0267
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0143 0.1593
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0127 0.0127
Echinococcus granulosus Diacylglycerol kinase theta 0.0013 0.0267 0.0267
Onchocerca volvulus 0.0035 0.0898 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0143 0.0143
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0015 0.0015
Brugia malayi diacylglycerol kinase 0.0013 0.0267 0.2972
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.019 0.019
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0143 0.0143
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0015 0.0015
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0143 0.0143
Schistosoma mansoni sphingosine kinase A B 0.0343 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0143 0.0143
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0267 1
Plasmodium vivax diacylglycerol kinase, putative 0.0013 0.0267 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Plasmodium falciparum diacylglycerol kinase, putative 0.0013 0.0267 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0013 0.0267 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0013 0.0267 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0143 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0143 0.1593
Loa Loa (eye worm) hypothetical protein 0.0009 0.0143 0.0143
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0013 0.0267 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0143 0.0143
Mycobacterium ulcerans hypothetical protein 0.0343 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0127 0.0127
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0143 0.0143
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0143 0.0143
Schistosoma mansoni cpg binding protein 0.0035 0.0898 0.0898
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0013 0.0267 0.0267
Brugia malayi hypothetical protein 0.0005 0.0015 0.0171
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0267 0.5
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0143 0.0143
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0019 0.0019
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0143 0.0143
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0143 0.0143
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0143 0.0143
Trypanosoma brucei Sphingosine kinase 0.0013 0.0267 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0343 1 1
Onchocerca volvulus Ceramide kinase 1 homolog 0.0013 0.0267 0.2972
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0143 0.0143
Mycobacterium tuberculosis Conserved protein 0.0343 1 1
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0013 0.0267 0.0267
Brugia malayi hypothetical protein 0.0013 0.0267 0.2972
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0143 0.1593
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0143 0.1593
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0143 0.0143
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0015 0.0171
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0013 0.0267 0.0267
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0013 0.0267 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0143 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0143 0.1593
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0013 0.0267 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 84.3548616 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 97.95051982 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 27.4727 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.6505 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) = 39.8107 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) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 54.8153 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 66.8242 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (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

1 literature reference was collected for this gene.

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