Detailed information for compound 1335322

Basic information

Technical information
  • TDR Targets ID: 1335322
  • Name: 4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsul fonylbenzamide
  • MW: 502.22 | Formula: C18H18Br2N2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(cc1)NC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)Br
  • InChi: 1S/C18H18Br2N2O3S/c19-14-5-7-15(8-6-14)21-18(23)13-4-9-16(20)17(12-13)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
  • InChiKey: YOPKMTSPZIUSQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-bromo-N-(4-bromophenyl)-3-(1-piperidylsulfonyl)benzamide
  • 4-bromo-N-(4-bromophenyl)-3-piperidinosulfonyl-benzamide
  • 4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonyl-benzamide
  • NCGC00141898-01
  • ST018775
  • AG-205/32680052
  • Oprea1_520875
  • 4-Bromo-N-(4-bromo-phenyl)-3-(piperidine-1-sulfonyl)-benzamide
  • BAS 00255549
  • ZINC00710980
  • Oprea1_244226

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens galactosylceramidase No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0099 0.0099
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0028 0.0282
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0086 1
Onchocerca volvulus 0.0035 0.0086 0.4775
Loa Loa (eye worm) hypothetical protein 0.0035 0.0086 0.0086
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0099 0.0027
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0086 0.0014
Entamoeba histolytica hypothetical protein 0.0035 0.0086 0.1641
Mycobacterium tuberculosis Conserved protein 0.0035 0.0086 0.0861
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0099 0.0027
Mycobacterium ulcerans hypothetical protein 0.0023 0.0028 0.3277
Schistosoma mansoni hypothetical protein 0.0038 0.0099 0.0027
Brugia malayi intermediate filament protein 0.0033 0.0072 0.0072
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0000085253 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.0581 0.0512
Loa Loa (eye worm) hypothetical protein 0.0042 0.0116 0.0116
Mycobacterium ulcerans lipase LipD 0.0035 0.0086 1
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0381 0.0311
Loa Loa (eye worm) hypothetical protein 0.0097 0.0381 0.0381
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0086 0.0861
Onchocerca volvulus 0.0035 0.0086 0.4775
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0116 0.0044
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0086 0.0014
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0086 0.0861
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000085253 0.0000085253
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.1002 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0086 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0023 0.0028 0.0028
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0099 0.0027
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.2105 1 1
Echinococcus granulosus expressed conserved protein 0.0091 0.0353 0.0283
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0028 0.0028
Echinococcus granulosus GPCR family 2 0.0038 0.0099 0.0027
Onchocerca volvulus 0.0049 0.015 1
Echinococcus granulosus MAP kinase activated protein kinase 2 0.2105 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0028 0.3277
Onchocerca volvulus 0.0033 0.0072 0.3622
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.0581 0.0512
Brugia malayi hypothetical protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0032 0.007 0.007
Schistosoma mansoni hypothetical protein 0.004 0.0109 0.0037
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0086 1
Echinococcus multilocularis tumor protein p63 0.0333 0.1512 0.145
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0493 0.0493
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0388 0.0318
Echinococcus multilocularis protein patched 0.0042 0.0116 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0116 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0086 0.0086
Leishmania major hypothetical protein, conserved 0.003 0.0062 0.5831
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.015 0.0078
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0086 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0086 0.0086
Echinococcus multilocularis expressed conserved protein 0.0091 0.0353 0.0283
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0086 0.0861
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0072 0.0072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0132 0.006
Schistosoma mansoni hypothetical protein 0.0038 0.0099 0.0027
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0028 0.3277
Onchocerca volvulus 0.0035 0.0086 0.4775
Loa Loa (eye worm) hypothetical protein 0.0082 0.0311 0.0311
Leishmania major hypothetical protein, conserved 0.0035 0.0086 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0116 0.0116
Brugia malayi beta-lactamase family protein 0.0035 0.0086 0.0086
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0028 0.3277
Loa Loa (eye worm) hypothetical protein 0.0035 0.0086 0.0086
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0099 0.0099
Echinococcus multilocularis GPCR, family 2 0.0038 0.0099 0.0027
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0086 0.0014
Echinococcus granulosus tumor protein p63 0.0333 0.1512 0.145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0132 0.006
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0028 0.3277
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0381 0.0381
Brugia malayi hypothetical protein 0.0035 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.012 0.0493 0.0493
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0062 0.7197
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0381 0.0311
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0099 0.0027
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0028 0.3277
Loa Loa (eye worm) hypothetical protein 0.0035 0.0086 0.0086
Brugia malayi CHE-14 protein 0.0042 0.0116 0.0116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0035 0.0086 0.0086
Mycobacterium ulcerans hypothetical protein 0.0035 0.0086 1
Entamoeba histolytica hypothetical protein 0.0035 0.0086 0.1641
Loa Loa (eye worm) hypothetical protein 0.0023 0.0028 0.0028
Brugia malayi beta-lactamase family protein 0.0035 0.0086 0.0086
Schistosoma mansoni hypothetical protein 0.0082 0.0311 0.024
Mycobacterium tuberculosis Conserved protein 0.0035 0.0086 0.0861
Echinococcus multilocularis protein dispatched 1 0.0048 0.0144 0.0072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0132 0.006
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0311 0.0311
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.2105 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000085253 0.0000085253
Loa Loa (eye worm) hypothetical protein 0.0049 0.015 0.015
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0132 0.0132
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0381 1
Brugia malayi hypothetical protein 0.002 0.0011 0.0011
Mycobacterium leprae Probable lipase LipE 0.0035 0.0086 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0086 1
Entamoeba histolytica hypothetical protein 0.0035 0.0086 0.1641
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.004 0.0109 0.0037
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000085253 0.0000085253
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0086 0.0014
Mycobacterium ulcerans beta-lactamase 0.0035 0.0086 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0086 0.0014
Entamoeba histolytica hypothetical protein 0.0035 0.0086 0.1641
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0038 0.0099 0.0099
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0116 0.0044
Schistosoma mansoni hypothetical protein 0.004 0.0109 0.0037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0132 0.006
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0086 0.0861
Loa Loa (eye worm) hypothetical protein 0.0033 0.0072 0.0072
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000085253 0.0000085253
Schistosoma mansoni hypothetical protein 0.0038 0.0099 0.0027
Loa Loa (eye worm) hypothetical protein 0.0035 0.0086 0.0086
Schistosoma mansoni patched 1 0.0042 0.0116 0.0044
Loa Loa (eye worm) hypothetical protein 0.0051 0.0161 0.0161
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0086 0.0014
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0028 0.3277
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0086 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0028 0.0282
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.0035 0.0086 0.0014
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000085253 0.0000085253
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0062 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0062 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0132 0.006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0132 0.006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0132 0.006
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0028 0.3277
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0086 0.0861
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0086 0.0861
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0493 0.0493
Schistosoma mansoni serine/threonine protein kinase 0.2105 1 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0116 0.0044
Brugia malayi beta-lactamase 0.0035 0.0086 0.0086
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0086 1
Schistosoma mansoni hypothetical protein 0.004 0.0109 0.0037
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0035 0.0086 0.0086
Onchocerca volvulus 0.0033 0.0072 0.3622
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0038 0.0099 0.0027
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0086 0.0014
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0028 0.0028
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0086 0.0861
Toxoplasma gondii ABC1 family protein 0.0035 0.0086 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0086 0.0086
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.3745 0.3699
Mycobacterium tuberculosis Conserved protein 0.0035 0.0086 0.0861

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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