Detailed information for compound 1402491

Basic information

Technical information
  • TDR Targets ID: 1402491
  • Name: 2-bromo-N-[5-(4-methylpiperidin-1-yl)sulfonyl -1,3,4-thiadiazol-2-yl]benzamide
  • MW: 445.354 | Formula: C15H17BrN4O3S2
  • H donors: 1 H acceptors: 5 LogP: 2.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)S(=O)(=O)c1nnc(s1)NC(=O)c1ccccc1Br
  • InChi: 1S/C15H17BrN4O3S2/c1-10-6-8-20(9-7-10)25(22,23)15-19-18-14(24-15)17-13(21)11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3,(H,17,18,21)
  • InChiKey: WJXOAIYIBNJNFY-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-bromo-N-[5-[(4-methyl-1-piperidyl)sulfonyl]-1,3,4-thiadiazol-2-yl]benzamide
  • 2-bromo-N-[5-[(4-methyl-1-piperidinyl)sulfonyl]-1,3,4-thiadiazol-2-yl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota 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
Echinococcus multilocularis dna polymerase eta 0.0023 0.2167 0.2167
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.4842 0.4842
Brugia malayi nuclear hormone receptor family member odr-7 0.0019 0.1472 0.1472
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.5333 0.5333
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Brugia malayi nuclear receptor NHR-88 0.0041 0.5333 0.5333
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.1886 0.1886
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0041 0.5333 0.5333
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0023 0.2167 0.2167
Brugia malayi tailless protein 0.0019 0.1472 0.1472
Leishmania major DNA polymerase eta, putative 0.0023 0.2167 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.4394 1
Schistosoma mansoni nuclear hormone receptor 0.0019 0.1472 0.1472
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.5333 0.5333
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.2167 0.2167
Echinococcus granulosus dna polymerase kappa 0.0023 0.2167 0.2167
Schistosoma mansoni zinc finger protein 0.0019 0.1472 0.1472
Brugia malayi nuclear hormone receptor 0.0041 0.5333 0.5333
Echinococcus multilocularis dna polymerase kappa 0.0023 0.2167 0.2167
Loa Loa (eye worm) hypothetical protein 0.0022 0.1886 0.1886
Brugia malayi hypothetical protein 0.0022 0.1886 0.1886
Brugia malayi ecdysone receptor 0.0019 0.1472 0.1472
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.1886 0.1886
Brugia malayi conserved hypotetical protein 0.0019 0.1472 0.1472
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2167 1
Loa Loa (eye worm) DR-78 0.0019 0.1472 0.1472
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0019 0.1472 0.1472
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.5333 0.5333
Trypanosoma brucei unspecified product 0.0023 0.2167 1
Entamoeba histolytica hypothetical protein 0.0043 0.5747 1
Brugia malayi ecdysteroid receptor 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0033 0.3942 0.3942
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.5468 0.5468
Entamoeba histolytica hypothetical protein 0.0043 0.5747 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.5333 0.5333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.5333 0.5333
Schistosoma mansoni thyroid hormone receptor 0.0041 0.5333 0.5333
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2167 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.5333 0.5333
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.4842 0.4842
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.5333 0.5333
Echinococcus multilocularis thyroid hormone receptor alpha 0.0041 0.5333 0.5333
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.2167 0.2167
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.5333 0.5333
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0041 0.5333 0.4527
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.5333 0.5333
Brugia malayi hypothetical protein 0.0043 0.5747 0.5747
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2167 0.5
Brugia malayi steroid hormone receptor 0.0041 0.5333 0.5333
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.4842 0.4842
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.1472 0.1472
Schistosoma mansoni nuclear hormone receptor 0.0041 0.5333 0.5333
Brugia malayi nuclear receptor RXR 0.0022 0.1886 0.1886
Brugia malayi Nuclear hormone receptor E75 0.0019 0.1472 0.1472
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.5333 0.5333
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2167 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.5333 0.5333
Brugia malayi hypothetical protein 0.0019 0.1472 0.1472
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.5333 0.5333
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.5333 0.5333
Schistosoma mansoni nuclear hormone receptor 0.0019 0.1472 0.1472
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.5333 0.5333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.5333 0.5333
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2167 1
Loa Loa (eye worm) nuclear hormone receptor 0.0019 0.1472 0.1472
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0022 0.1886 0.1886
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.5333 0.5333
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0019 0.1472 0.1472
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0022 0.1886 0.1886
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.2167 0.2167
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.5333 0.5333
Schistosoma mansoni hypothetical protein 0.0043 0.5747 0.5747
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.5333 0.5333
Brugia malayi hypothetical protein 0.0019 0.1472 0.1472
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.5333 0.5333
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.5333 0.5333
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5747 0.5747
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2167 0.2167
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2167 1
Entamoeba histolytica hypothetical protein 0.0043 0.5747 1
Schistosoma mansoni coup transcription factor 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0022 0.1886 0.1886
Schistosoma mansoni DNA polymerase eta 0.0023 0.2167 0.2167
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.2167 0.2167
Onchocerca volvulus Bile acid receptor homolog 0.0041 0.5333 0.4527
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.1472 0.1472
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2167 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0022 0.1886 0.1886
Loa Loa (eye worm) hypothetical protein 0.0022 0.1886 0.1886
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.5333 0.5333
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.1472 0.1472
Schistosoma mansoni thyroid hormone receptor 0.0041 0.5333 0.5333
Brugia malayi nuclear receptor NHR-67 0.0019 0.1472 0.1472
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2167 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.5333 0.5333
Brugia malayi Nuclear hormone receptor E75 0.0019 0.1472 0.1472
Brugia malayi hypothetical protein 0.0022 0.1886 0.1886
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0022 0.1886 0.1886
Loa Loa (eye worm) hypothetical protein 0.0022 0.1886 0.1886
Onchocerca volvulus 0.0041 0.5333 0.4527
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.5333 0.5333
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.5333 0.5333
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2167 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.2167 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0019 0.1472 0.1472
Brugia malayi nuclear receptor NHR-88 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Leishmania major DNA polymerase kappa, putative 0.0023 0.2167 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.5333 0.5333
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.4394 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.5333 0.5333
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2167 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0019 0.1472 0.1472
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.2167 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.5333 0.5333
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.5333 0.5333
Entamoeba histolytica hypothetical protein 0.0043 0.5747 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0019 0.1472 0.1472
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.1472 0.1472
Schistosoma mansoni nuclear receptor 0.0019 0.1472 0.1472
Schistosoma mansoni retinoic acid receptor RXR 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Echinococcus granulosus nuclear receptor nhr 48 0.0019 0.1472 0.1472
Schistosoma mansoni nuclear receptor 0.0019 0.1472 0.1472
Brugia malayi orphan nuclear receptor NR2E1 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.5333 0.5333
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.5333 0.5333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.5333 0.5333
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.2167 0.2167
Onchocerca volvulus Protein ultraspiracle homolog 0.0041 0.5333 0.4527
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.2167 1
Echinococcus granulosus dna polymerase eta 0.0023 0.2167 0.2167
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0022 0.1886 0.1886
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.5333 0.5333
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5747 0.5747
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.5333 0.5333
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.5333 0.5333
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0019 0.1472 0.1472
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.5333 0.5333
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.5333 0.5333
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.1472 0.1472
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.5333 0.5333
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.5333 0.5333
Brugia malayi nuclear receptor RXR 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Brugia malayi nuclear hormone receptor family member nhr-6 0.0019 0.1472 0.1472
Echinococcus granulosus FTZ F1 alpha 0.0041 0.5333 0.5333
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2167 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2167 0.2167
Giardia lamblia DINP protein human, muc B family 0.0023 0.2167 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.4842 0.4842
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.5333 0.5333
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5747 0.5747
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.1886 0.1886
Brugia malayi nuclear hormone receptor 0.0019 0.1472 0.1472
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.5333 0.5333
Loa Loa (eye worm) nuclear receptor NHR-67 0.0019 0.1472 0.1472
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0019 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.0041 0.5333 0.5333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.5333 0.5333
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.5468 0.5468
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2167 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.5333 0.5333
Loa Loa (eye worm) hypothetical protein 0.0019 0.1472 0.1472

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 4.1475 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) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 50.1187 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) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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