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

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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