Detailed information for compound 1377974

Basic information

Technical information
  • TDR Targets ID: 1377974
  • Name: N-(cyclopropylmethyl)-2-{[(1,2-dimethyl-1H-im idazol-4-yl)sulfonyl]amino}benzamide
  • MW: 348.42 | Formula: C16H20N4O3S
  • H donors: 2 H acceptors: 4 LogP: 1.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1NS(=O)(=O)c1cn(c(n1)C)C)NCC1CC1
  • InChi: 1S/C16H20N4O3S/c1-11-18-15(10-20(11)2)24(22,23)19-14-6-4-3-5-13(14)16(21)17-9-12-7-8-12/h3-6,10,12,19H,7-9H2,1-2H3,(H,17,21)
  • InChiKey: NNAZDAUENBDMEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000456249
  • HTS 05148
  • SR-01000641087-1
  • MLS000850231

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0014 0.0953 0.116
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0014 0.0953 0.0953
Echinococcus granulosus ecdysone induced protein 78C 0.0014 0.0953 0.0953
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0014 0.0953 0.1205
Echinococcus granulosus FTZ F1 alpha 0.0014 0.0953 0.0953
Brugia malayi hypothetical protein 0.003 0.4373 0.5327
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.4373 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0014 0.0953 0.0953
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0014 0.0953 0.0953
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0014 0.0953 0.116
Brugia malayi hypothetical protein 0.002 0.2175 0.2649
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0017 0.1562 0.1977
Loa Loa (eye worm) hypothetical protein 0.0048 0.7902 1
Schistosoma mansoni thyroid hormone receptor 0.0014 0.0953 0.0953
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0014 0.0953 0.0953
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.4373 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.0041 0.6609 0.6609
Brugia malayi protein kinase C II. 0.0017 0.1562 0.1903
Schistosoma mansoni serine/threonine protein kinase 0.0058 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0014 0.0953 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.4373 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0014 0.0953 0.0953
Onchocerca volvulus 0.0014 0.0953 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0014 0.0953 0.0953
Brugia malayi Protein kinase c protein 2 0.0049 0.821 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0014 0.0953 0.116
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0014 0.0953 0.1205
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Brugia malayi nuclear hormone receptor 0.0014 0.0953 0.116
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.4373 1
Entamoeba histolytica protein kinase, putative 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Loa Loa (eye worm) hypothetical protein 0.003 0.4373 0.5534
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.4373 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0014 0.0953 0.1205
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0953 0.0953
Schistosoma mansoni steroid hormone receptor ad4bp 0.0014 0.0953 0.0953
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0014 0.0953 0.116
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0014 0.0953 0.0953
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0953 0.0953
Schistosoma mansoni serine/threonine protein kinase 0.0058 1 1
Echinococcus granulosus RNA directed DNA polymerase 0.0041 0.6609 0.6609
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0014 0.0953 0.0953
Schistosoma mansoni hypothetical protein 0.0014 0.0953 0.0953
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0041 0.6609 0.6609
Loa Loa (eye worm) steroid hormone receptor 0.0014 0.0953 0.1205
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0014 0.0953 0.1205
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.4373 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0953 0.0953
Echinococcus granulosus protein kinase C gamma type 0.0052 0.8707 0.8707
Entamoeba histolytica protein kinase, putative 0.0009 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0014 0.0953 0.116
Echinococcus multilocularis protein kinase c epsilon type 0.0017 0.1562 0.1562
Echinococcus granulosus protein kinase c epsilon type 0.0017 0.1562 0.1562
Echinococcus multilocularis ecdysone induced protein 78C 0.0014 0.0953 0.0953
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0014 0.0953 0.0953
Brugia malayi photoreceptor-specific nuclear receptor 0.0014 0.0953 0.116
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0014 0.0953 0.116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0014 0.0953 0.1205
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Echinococcus granulosus protein kinase c iota type 0.0015 0.1293 0.1293
Echinococcus multilocularis FTZ F1 alpha 0.0014 0.0953 0.0953
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0043 0.6917 0.8753
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0014 0.0953 0.0953
Echinococcus multilocularis protein kinase c iota type 0.0015 0.1293 0.1293
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0014 0.0953 0.116
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0014 0.0953 0.0953
Onchocerca volvulus Bile acid receptor homolog 0.0014 0.0953 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0014 0.0953 0.116
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0014 0.0953 0.116
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0014 0.0953 0.0953
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0014 0.0953 0.116
Brugia malayi nuclear receptor NHR-88 0.0014 0.0953 0.116
Echinococcus multilocularis thyroid hormone receptor alpha 0.0014 0.0953 0.0953
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0014 0.0953 0.0953
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0014 0.0953 0.0953
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0953 0.0953
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0014 0.0953 0.116
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.1562 0.1562
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0953 0.0953
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0953 0.0953
Echinococcus multilocularis serine threonine protein kinase 0.0052 0.8707 0.8707
Loa Loa (eye worm) hypothetical protein 0.0041 0.6609 0.8363
Brugia malayi steroid hormone receptor 0.0014 0.0953 0.116
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0014 0.0953 0.0953
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0014 0.0953 0.1205
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Entamoeba histolytica protein kinase, putative 0.0009 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0014 0.0953 0.116
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0953 0.0953
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0058 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0014 0.0953 0.116
Schistosoma mansoni coup transcription factor 0.0014 0.0953 0.0953
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.4373 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0014 0.0953 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0953 0.1205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0014 0.0953 0.1205
Entamoeba histolytica protein kinase, putative 0.0009 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0014 0.0953 0.0953
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0014 0.0953 0.0953
Schistosoma mansoni atypical protein kinase C 0.0015 0.1293 0.1293
Schistosoma mansoni thyroid hormone receptor 0.0014 0.0953 0.0953
Leishmania major hypothetical protein, conserved 0.003 0.4373 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0014 0.0953 0.116
Trichomonas vaginalis AGC family protein kinase 0.0009 0 0.5
Brugia malayi ecdysteroid receptor 0.0014 0.0953 0.116
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0014 0.0953 0.116

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0891 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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) 14.7157 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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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