Detailed information for compound 1273862

Basic information

Technical information
  • TDR Targets ID: 1273862
  • Name: 2,4-dichloro-N,N-diethyl-5-(pyrazole-1-carbon yl)benzenesulfonamide
  • MW: 376.258 | Formula: C14H15Cl2N3O3S
  • H donors: 0 H acceptors: 4 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1cc(c(cc1Cl)Cl)C(=O)n1cccn1)CC
  • InChi: 1S/C14H15Cl2N3O3S/c1-3-18(4-2)23(21,22)13-8-10(11(15)9-12(13)16)14(20)19-7-5-6-17-19/h5-9H,3-4H2,1-2H3
  • InChiKey: NPJJEPLFIHGSSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dichloro-N,N-diethyl-5-[oxo-(1-pyrazolyl)methyl]benzenesulfonamide
  • 2,4-dichloro-N,N-diethyl-5-pyrazol-1-ylcarbonyl-benzenesulfonamide
  • 2,4-Dichloro-N,N-diethyl-5-(pyrazole-1-carbonyl)-benzenesulfonamide
  • BAS 08301582
  • 2,4-dichloro-N,N-diethyl-5-(1H-pyrazol-1-ylcarbonyl)benzenesulfonamide
  • MLS000088982
  • SMR000073264
  • ZINC00812242
  • Oprea1_084193
  • AK-968/15360008

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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) hypothetical protein 0.0035 0.0025 0.094
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0 0.0016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0 0.0009
Onchocerca volvulus 0.001 0 0.01
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.00000002639 0.000008579
Brugia malayi CHE-14 protein 0.0041 0.0031 0.1164
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0 0.0003
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0 0.0003
Brugia malayi steroid hormone receptor 0.001 0 0.0009
Echinococcus multilocularis protein dispatched 1 0.0047 0.0036 0.0479
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0025 0.1639
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0264 1
Mycobacterium ulcerans TetR family transcriptional regulator 1.0235 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0025 0.2949
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 1.0235 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0 0.0016
Onchocerca volvulus 0.0035 0.0025 1
Brugia malayi ecdysteroid receptor 0.001 0 0.0009
Brugia malayi Nuclear hormone receptor-like 1 0.001 0 0.0009
Schistosoma mansoni nuclear hormone receptor 0.001 0 0.0016
Schistosoma mansoni hypothetical protein 0.0164 0.0152 1
Echinococcus multilocularis protein patched 0.0041 0.0031 0.0405
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0034 0.2249
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0031 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0 0.0009
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.0209 0.0185
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0025 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0025 0.094
Echinococcus multilocularis expressed conserved protein 0.009 0.0078 0.1032
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0 0.0003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0034 0.0448
Brugia malayi nuclear hormone receptor 0.001 0 0.0009
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0 0.0016
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.094
Schistosoma mansoni thyroid hormone receptor 0.001 0 0.0016
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0084 0.3184
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.01
Trichomonas vaginalis esterase, putative 0.0035 0.0025 0.8073
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.00000002639 0.000008579
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.01
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0 0.0009
Echinococcus granulosus expressed conserved protein 0.009 0.0078 0.5178
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0 0.0016
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0025 0.8073
Giardia lamblia Replication factor C, subunit 1 0.001 0.00000002639 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.0025 0.0025
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0031 0.203
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0025 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0034 0.2249
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0034 0.2249
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0025 0.0025
Echinococcus multilocularis FTZ F1 alpha 0.001 0 0.0003
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0 0.0016
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0025 0.0326
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0 0.0016
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0031 0.203
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0084 0.5552
Schistosoma mansoni retinoic acid receptor RXR 0.001 0 0.0016
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0 0.0003
Leishmania major hypothetical protein, conserved 0.0035 0.0025 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.094
Brugia malayi Steroid receptor seven-up type 2 0.001 0 0.0009
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0031 0.1164
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0 0.0009
Brugia malayi hypothetical protein 0.0035 0.0025 0.0939
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0 0.0016
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Loa Loa (eye worm) steroid hormone receptor 0.001 0 0.0009
Schistosoma mansoni hypothetical protein 0.004 0.0029 0.1935
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0034 0.2249
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.094
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.00000002639 0.000008579
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0025 0.1637
Entamoeba histolytica hypothetical protein 0.0035 0.0025 0.2949
Mycobacterium ulcerans hypothetical protein 0.0035 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0096 0.0084 0.3184
Schistosoma mansoni hypothetical protein 0.0164 0.0152 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0025 0.0025
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0 0.0016
Echinococcus granulosus FTZ F1 alpha 0.001 0 0.0016
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.0124 0.1634
Echinococcus granulosus ecdysone induced protein 78C 0.001 0 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0 0.0009
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0025 0.1637
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0025 0.1639
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0 0.0009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0025 0.1639
Schistosoma mansoni hypothetical protein 0.004 0.0029 0.1935
Brugia malayi beta-lactamase family protein 0.0035 0.0025 0.094
Brugia malayi follicle stimulating hormone receptor 0.028 0.0264 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0025 0.094
Loa Loa (eye worm) hypothetical protein 0.005 0.004 0.1506
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0 0.0016
Mycobacterium ulcerans AcrR family transcriptional regulator 1.0235 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0025 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0 0.0009
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0025 0.094
Brugia malayi beta-lactamase family protein 0.0035 0.0025 0.094
Loa Loa (eye worm) hypothetical protein 0.0041 0.0031 0.1164
Echinococcus multilocularis replication factor c subunit 1 0.001 0.00000002639 0.00000034704
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0025 0.0327
Toxoplasma gondii ABC1 family protein 0.0035 0.0025 1
Onchocerca volvulus 0.0035 0.0025 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0 0.0016
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.094
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0031 0.0405
Echinococcus granulosus geminin 0.0164 0.0152 1
Treponema pallidum DNA ligase (lig) 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0 0.0016
Brugia malayi beta-lactamase 0.0035 0.0025 0.094
Schistosoma mansoni thyroid hormone receptor 0.001 0 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0025 0.8073
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0 0.0003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0 0.0009
Schistosoma mansoni RAR-like nuclear receptor 0.001 0 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0 0.0009
Schistosoma mansoni hypothetical protein 0.004 0.0029 0.1935
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.01
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0086 0.5647
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0 0.0009
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.094
Mycobacterium ulcerans lipase LipD 0.0035 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0 0.0009
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0084 0.1106
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0 0.0003
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0025 0.8073
Brugia malayi nuclear receptor NHR-88 0.001 0 0.0009
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.0124 0.8199
Mycobacterium ulcerans transcriptional regulator 1.0235 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0034 0.129
Schistosoma mansoni patched 1 0.0041 0.0031 0.203
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0025 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0025 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0787 0.076 1
Onchocerca volvulus 0.0035 0.0025 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0034 0.0448
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0 0.0009
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0 0.0016
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0025 0.8073
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.00000002639 0.0000017418
Echinococcus granulosus replication factor c subunit 1 0.001 0.00000002639 0.0000017418
Chlamydia trachomatis DNA ligase 0.001 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0034 0.2249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0 0.0009
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0 0.0009
Echinococcus multilocularis geminin 0.0164 0.0152 0.1992
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0034 0.129
Schistosoma mansoni hypothetical protein 0.004 0.0029 0.1935
Entamoeba histolytica hypothetical protein 0.0035 0.0025 0.2949
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0 0.0009
Entamoeba histolytica hypothetical protein 0.0035 0.0025 0.2949
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0 0.0009
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0025 0.8073
Schistosoma mansoni coup transcription factor 0.001 0 0.0016
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.00000002639 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0025 0.1637
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.00000002639 0.0000031374
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0025 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0522 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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