Detailed information for compound 1421599

Basic information

Technical information
  • TDR Targets ID: 1421599
  • Name: 2-methoxy-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-( trifluoromethoxy)phenyl]benzenesulfonamide
  • MW: 428.382 | Formula: C18H15F3N2O5S
  • H donors: 1 H acceptors: 3 LogP: 4.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)OC(F)(F)F)c1cnc(o1)C
  • InChi: 1S/C18H15F3N2O5S/c1-11-22-10-16(27-11)12-3-8-15(26-2)17(9-12)29(24,25)23-13-4-6-14(7-5-13)28-18(19,20)21/h3-10,23H,1-2H3
  • InChiKey: XDAJOFCXBQJYDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methoxy-5-(2-methyloxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
  • 2-methoxy-5-(2-methyl-5-oxazolyl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
  • G408-1368
  • NCGC00130981-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.021 0.0299
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 0.021 0.021
Leishmania major DNA polymerase eta, putative 0.007 0.0596 0.0936
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Loa Loa (eye worm) hypothetical protein 0.007 0.0596 0.0848
Brugia malayi hypothetical protein 0.0035 0.008 0.0113
Entamoeba histolytica deoxycytidyl transferase, putative 0.0227 0.288 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0308 0.0439
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0091 0.0091
Schistosoma mansoni thyroid hormone receptor 0.0044 0.021 0.021
Echinococcus granulosus dna polymerase eta 0.0227 0.288 0.288
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 0.021 0.0299
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0072 0.0616 0.0876
Giardia lamblia DNA damage repair protein 0.007 0.0596 0.207
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.007 0.0596 1
Schistosoma mansoni nuclear hormone receptor 0.0044 0.021 0.021
Echinococcus multilocularis geminin 0.0714 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0156 0.1852 0.5921
Echinococcus granulosus dna polymerase kappa 0.0227 0.288 0.288
Trypanosoma brucei unspecified product 0.0227 0.288 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.288 0.4097
Toxoplasma gondii ImpB/MucB/SamB family protein 0.007 0.0596 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 0.021 0.021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 0.021 0.0299
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.021 0.021
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 0.021 0.0299
Leishmania major DNA polymerase kappa, putative 0.0227 0.288 1
Brugia malayi jmjC domain containing protein 0.0036 0.0091 0.0129
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0169 0.0169
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 0.021 0.0299
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0208 0.2608 0.3711
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.021 0.0299
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0227 0.288 0.288
Plasmodium vivax DNA repair protein REV1, putative 0.007 0.0596 1
Onchocerca volvulus Bile acid receptor homolog 0.0044 0.021 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0208 0.2608 0.3711
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0169 0.0169
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.046 0.0654
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 0.021 0.0299
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0072 0.0616 0.0616
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.021 0.021
Trypanosoma brucei unspecified product 0.0156 0.1852 0.5921
Loa Loa (eye worm) steroid hormone receptor 0.0044 0.021 0.0299
Loa Loa (eye worm) hypothetical protein 0.0054 0.036 0.0513
Echinococcus granulosus expressed protein 0.0369 0.4964 0.4964
Mycobacterium ulcerans DNA polymerase IV 0.0227 0.288 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0227 0.288 0.288
Trypanosoma cruzi hypothetical protein 0.0072 0.0616 0.1014
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0596 0.0936
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Brugia malayi Calcitonin receptor-like protein seb-1 0.0208 0.2608 0.3711
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.053 0.053
Schistosoma mansoni hypothetical protein 0.0714 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 0.021 0.0299
Loa Loa (eye worm) hypothetical protein 0.0066 0.053 0.0754
Schistosoma mansoni thyroid hormone receptor 0.0044 0.021 0.021
Schistosoma mansoni hypothetical protein 0.0714 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.053 0.053
Trypanosoma brucei DNA polymerase kappa, putative 0.007 0.0596 0.0936
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.021 0.021
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0227 0.288 0.4097
Brugia malayi ecdysteroid receptor 0.0044 0.021 0.0299
Schistosoma mansoni DNA polymerase IV / kappa 0.007 0.0596 0.0596
Schistosoma mansoni coup transcription factor 0.0044 0.021 0.021
Trypanosoma brucei DNA polymerase kappa, putative 0.0156 0.1852 0.5921
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Loa Loa (eye worm) RNA binding protein 0.0132 0.1497 0.213
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 0.021 0.0299
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 0.021 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0044 0.021 0.021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.053 0.053
Schistosoma mansoni hypothetical protein 0.0066 0.053 0.053
Trypanosoma cruzi DNA polymerase kappa, putative 0.0227 0.288 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0227 0.288 0.5
Loa Loa (eye worm) Ulp1 protease 0.0072 0.0616 0.0876
Brugia malayi ImpB/MucB/SamB family protein 0.0227 0.288 0.4097
Brugia malayi Steroid receptor seven-up type 2 0.0044 0.021 0.0299
Brugia malayi Latrophilin receptor protein 2 0.0066 0.053 0.0754
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0091 0.0091
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 0.021 0.021
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0511 0.7028 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1497 0.1497
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0091 0.0129
Schistosoma mansoni RAR-like nuclear receptor 0.0044 0.021 0.021
Echinococcus multilocularis dna polymerase eta 0.0227 0.288 0.288
Echinococcus multilocularis expressed protein 0.0369 0.4964 0.4964
Trypanosoma brucei DNA polymerase eta, putative 0.0227 0.288 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1497 0.1497
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0044 0.021 0.021
Schistosoma mansoni hypothetical protein 0.0066 0.053 0.053
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 0.021 0.021
Trypanosoma cruzi DNA polymerase kappa, putative 0.0227 0.288 1
Echinococcus multilocularis tar DNA binding protein 0.0132 0.1497 0.1497
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0596 0.0936
Trypanosoma brucei DNA polymerase kappa, putative 0.007 0.0596 0.0936
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0982 0.0982
Echinococcus multilocularis GPCR, family 2 0.0066 0.053 0.053
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.1497 0.213
Trypanosoma brucei DNA damage repair protein, putative 0.007 0.0596 0.0936
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 0.021 0.0299
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0227 0.288 0.288
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 0.021 0.021
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 0.021 0.021
Echinococcus granulosus tar DNA binding protein 0.0132 0.1497 0.1497
Trypanosoma brucei DNA polymerase kappa, putative 0.0156 0.1852 0.5921
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.036 0.6044
Brugia malayi nuclear receptor NHR-88 0.0044 0.021 0.0299
Toxoplasma gondii ImpB/MucB/SamB family protein 0.007 0.0596 1
Schistosoma mansoni hypothetical protein 0.0142 0.1646 0.1646
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Echinococcus multilocularis sentrin specific protease 8 0.0072 0.0616 0.0616
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0511 0.7028 0.7028
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.036 0.6044
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Schistosoma mansoni DNA polymerase eta 0.0227 0.288 0.288
Trypanosoma brucei DNA polymerase IV, putative 0.0227 0.288 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 0.021 0.0299
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1497 0.1497
Schistosoma mansoni hypothetical protein 0.0066 0.053 0.053
Mycobacterium ulcerans DNA polymerase IV 0.0227 0.288 1
Echinococcus granulosus GPCR family 2 0.0066 0.053 0.053
Brugia malayi steroid hormone receptor 0.0044 0.021 0.0299
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 0.021 0.021
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.021 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.021 0.0299
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 0.021 0.021
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0982 0.0982
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1497 0.1497
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Schistosoma mansoni retinoic acid receptor RXR 0.0044 0.021 0.021
Trypanosoma brucei DNA damage repair protein, putative 0.007 0.0596 0.0936
Echinococcus multilocularis dna polymerase kappa 0.0227 0.288 0.288
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0596 0.0936
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0091 0.0091
Echinococcus granulosus FTZ F1 alpha 0.0044 0.021 0.021
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 0.021 0.021
Schistosoma mansoni hypothetical protein 0.0066 0.053 0.053
Trypanosoma brucei DNA polymerase IV, putative 0.0227 0.288 1
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.036 0.6044
Trypanosoma cruzi DNA damage repair protein, putative 0.007 0.0596 0.0936
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Trypanosoma brucei chrX additional, unordered contigs 0.007 0.0596 0.0936
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Trypanosoma cruzi DNA damage repair protein, putative 0.007 0.0596 0.0936
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 0.021 0.021
Echinococcus granulosus sentrin specific protease 8 0.0072 0.0616 0.0616
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 0.021 0.0299
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0091 0.0091
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0511 0.7028 0.7028
Brugia malayi ImpB/MucB/SamB family protein 0.0227 0.288 0.4097
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.021 0.0299
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Trypanosoma cruzi DNA polymerase eta, putative 0.007 0.0596 0.0936
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Leishmania major DNA damage repair protein, putative 0.007 0.0596 0.0936
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 0.021 0.021
Trypanosoma brucei DNA polymerase kappa, putative 0.0227 0.288 1
Trypanosoma brucei unspecified product 0.0156 0.1852 0.5921
Leishmania major DNA polymerase kappa, putative 0.007 0.0596 0.0936
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0227 0.288 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 0.021 0.021
Plasmodium falciparum DNA repair protein REV1, putative 0.007 0.0596 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.1646 0.2343
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 0.021 1
Brugia malayi jmjC domain containing protein 0.0097 0.0982 0.1398
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0227 0.288 0.288
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.053 0.0754
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0596 0.0936
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0692 0.0692
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.053 0.053
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0227 0.288 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0227 0.288 1
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.036 0.6044
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1497 0.1497
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.021 0.0299
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Trypanosoma cruzi DNA polymerase kappa, putative 0.0227 0.288 1
Leishmania major DNA polymerase eta, putative 0.0227 0.288 1
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.021 0.0299
Loa Loa (eye worm) hypothetical protein 0.0208 0.2608 0.3711
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.1646 0.2343
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.021 0.021
Brugia malayi hypothetical protein 0.0054 0.036 0.0513
Brugia malayi polk-prov protein 0.007 0.0596 0.0848
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 0.021 0.0299
Trichomonas vaginalis DNA polymerase eta, putative 0.0227 0.288 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 0.021 0.0299
Trypanosoma brucei DNA polymerase IV, putative 0.0227 0.288 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0227 0.288 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 0.021 0.021
Brugia malayi RNA binding protein 0.0132 0.1497 0.213
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.053 0.0754
Giardia lamblia DINP protein human, muc B family 0.0227 0.288 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0227 0.288 1
Echinococcus granulosus ecdysone induced protein 78C 0.0044 0.021 0.021
Loa Loa (eye worm) TAR-binding protein 0.0132 0.1497 0.213
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.021 0.021
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0488 0.6688 0.6688
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 0.021 0.0299
Onchocerca volvulus 0.0044 0.021 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.021 0.0299
Brugia malayi nuclear hormone receptor 0.0044 0.021 0.0299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0511 0.7028 1
Echinococcus multilocularis FTZ F1 alpha 0.0044 0.021 0.021
Brugia malayi TAR-binding protein 0.0132 0.1497 0.213
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.1497 0.213

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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 Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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