Detailed information for compound 1315167

Basic information

Technical information
  • TDR Targets ID: 1315167
  • Name: 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazo le-4-sulfonamide
  • MW: 305.276 | Formula: C11H10F3N3O2S
  • H donors: 1 H acceptors: 3 LogP: 1.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc(cc1)NS(=O)(=O)c1ncn(c1)C)(F)F
  • InChi: 1S/C11H10F3N3O2S/c1-17-6-10(15-7-17)20(18,19)16-9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3
  • InChiKey: QFMCGTGHSYOLIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methyl-N-[4-(trifluoromethyl)phenyl]-4-imidazolesulfonamide
  • 1-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-sulfonamide
  • MLS000047214
  • SMR000033225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0314 0.8761 0.8761
Loa Loa (eye worm) hypothetical protein 0.0066 0.1291 0.1473
Echinococcus multilocularis para nitrobenzyl esterase 0.0053 0.0912 0.1041
Brugia malayi Carboxylesterase family protein 0.0053 0.0912 0.1041
Brugia malayi mbt repeat family protein 0.0058 0.1051 0.1199
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.098 0.1118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0053 0.0912 0.1041
Brugia malayi mbt repeat family protein 0.0058 0.1051 0.1199
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0053 0.0912 0.0912
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1051 0.1199
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1051 0.1051
Schistosoma mansoni gliotactin 0.0053 0.0912 0.0912
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1291 0.1473
Trichomonas vaginalis spcc417.12 protein, putative 0.0053 0.0912 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0053 0.0912 0.1041
Loa Loa (eye worm) carboxylesterase 0.0053 0.0912 0.1041
Echinococcus multilocularis carboxylesterase 5A 0.0314 0.8761 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1051 0.1199
Loa Loa (eye worm) hypothetical protein 0.0053 0.0912 0.1041
Echinococcus granulosus acetylcholinesterase 0.0314 0.8761 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.8761 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.098 0.1118
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1051 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0912 0.1041
Echinococcus granulosus BC026374 protein S09 family 0.0053 0.0912 0.1041
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0053 0.0912 0.0912
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.098 0.098
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.098 0.1118
Onchocerca volvulus 0.0058 0.1051 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0053 0.0912 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1051 0.1051
Brugia malayi hypothetical protein 0.0053 0.0912 0.1041
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0053 0.0912 0.1041
Mycobacterium tuberculosis Carboxylesterase LipT 0.0053 0.0912 1
Echinococcus granulosus para nitrobenzyl esterase 0.0053 0.0912 0.1041
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0053 0.0912 0.0912
Loa Loa (eye worm) hypothetical protein 0.0053 0.0912 0.1041
Loa Loa (eye worm) hypothetical protein 0.0314 0.8761 1
Brugia malayi Carboxylesterase family protein 0.0314 0.8761 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1291 0.1291
Echinococcus granulosus neuroligin 0.0053 0.0912 0.1041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.098 0.1118
Loa Loa (eye worm) carboxylesterase 0.0314 0.8761 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3658 0.4175
Mycobacterium ulcerans carboxylesterase, LipT 0.0053 0.0912 1
Echinococcus multilocularis neuroligin 0.0053 0.0912 0.1041
Schistosoma mansoni BC026374 protein (S09 family) 0.0053 0.0912 0.0912
Brugia malayi Carboxylesterase family protein 0.0053 0.0912 0.1041
Loa Loa (eye worm) hypothetical protein 0.0053 0.0912 0.1041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.098 0.098
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1051 0.1199
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1051 0.1199
Brugia malayi MH2 domain containing protein 0.0144 0.3658 0.4175
Brugia malayi Carboxylesterase family protein 0.0314 0.8761 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1051 0.1051
Echinococcus granulosus acetylcholinesterase 0.0314 0.8761 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.098 0.1118
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1291 0.1473
Loa Loa (eye worm) carboxylesterase 0.0053 0.0912 0.1041
Loa Loa (eye worm) MBCTL1 0.0066 0.1291 0.1473
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3658 0.4175
Loa Loa (eye worm) hypothetical protein 0.0058 0.1051 0.1199
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0053 0.0912 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.098 0.1118
Schistosoma mansoni acetylcholinesterase 0.0053 0.0912 0.0912
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0232 0.629 0.718
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0232 0.629 0.718
Brugia malayi Carboxylesterase family protein 0.0053 0.0912 0.1041
Echinococcus multilocularis acetylcholinesterase 0.0314 0.8761 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0053 0.0912 0.1041
Loa Loa (eye worm) hypothetical protein 0.0053 0.0912 0.1041
Loa Loa (eye worm) acetylcholinesterase 1 0.0314 0.8761 1
Brugia malayi Carboxylesterase family protein 0.0053 0.0912 0.1041
Loa Loa (eye worm) hypothetical protein 0.0053 0.0912 0.1041
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1291 0.1473
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0053 0.0912 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1291 0.1473
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1291 0.1473
Echinococcus multilocularis acetylcholinesterase 0.0314 0.8761 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0053 0.0912 0.0912
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1051 0.1199
Echinococcus granulosus carboxylesterase 5A 0.0314 0.8761 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0016 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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

No literature references available for this target.

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