Detailed information for compound 1383822

Basic information

Technical information
  • TDR Targets ID: 1383822
  • Name: 4-bromo-N-(4-bromophenyl)-3-(pyridin-3-ylsulf amoyl)benzamide
  • MW: 511.187 | Formula: C18H13Br2N3O3S
  • H donors: 2 H acceptors: 4 LogP: 3.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(cc1)NC(=O)c1ccc(c(c1)S(=O)(=O)Nc1cccnc1)Br
  • InChi: 1S/C18H13Br2N3O3S/c19-13-4-6-14(7-5-13)22-18(24)12-3-8-16(20)17(10-12)27(25,26)23-15-2-1-9-21-11-15/h1-11,23H,(H,22,24)
  • InChiKey: IBBGHBKTIHFQNK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-bromo-N-(4-bromophenyl)-3-(3-pyridylsulfamoyl)benzamide
  • ZINC00792973
  • MLS000553703
  • SMR000171637
  • 4-Bromo-N-(4-bromo-phenyl)-3-(pyridin-3-ylsulfamoyl)-benzamide
  • BAS 00680028

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
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 exodeoxyribonuclease III family protein 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) fatty acid desaturase 0.0061 0.0648 0.0651
Mycobacterium ulcerans hypothetical protein 0.0063 0.0681 1
Loa Loa (eye worm) hypothetical protein 0.0607 0.9967 1
Mycobacterium ulcerans electron transfer protein FdxB 0.0061 0.0648 0.9518
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0648 0.0651
Loa Loa (eye worm) hypothetical protein 0.0546 0.8931 0.8961
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Leishmania major delta-4 fatty acid desaturase 0.0061 0.0648 0.0651
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0061 0.0648 0.9518
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0061 0.0648 0.9518
Leishmania major delta-5 fatty acid desaturase 0.0607 0.9967 1
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0061 0.0648 0.9518
Echinococcus granulosus Fatty acid desaturase type 1 0.0061 0.0648 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0063 0.0681 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Schistosoma mansoni fatty acid desaturase 0.0609 1 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0061 0.0648 0.9518
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Trypanosoma brucei fatty acid desaturase, putative 0.0063 0.0681 1
Leishmania major stearic acid desaturase, putative 0.0063 0.0681 0.0683
Trypanosoma brucei delta-4 fatty acid desaturase 0.0061 0.0648 0.9518
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0648 0.0651
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0061 0.0648 0.9518
Trypanosoma cruzi fatty acid desaturase, putative 0.0063 0.0681 1
Loa Loa (eye worm) fatty acid desaturase 0.0061 0.0648 0.0651
Mycobacterium ulcerans hypothetical protein 0.0061 0.0648 0.9518
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0648 0.0651
Leishmania major fatty acid desaturase, putative 0.0061 0.0648 0.0651
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0061 0.0648 0.9518
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0061 0.0648 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0061 0.0648 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0061 0.0648 0.9518
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0061 0.0648 0.9518
Leishmania major delta-6 fatty acid desaturase 0.0063 0.0681 0.0683
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0061 0.0648 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0061 0.0648 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Leishmania major fatty acid desaturase, putative 0.0061 0.0648 0.0651
Brugia malayi Fatty acid desaturase family protein 0.0061 0.0648 0.0651
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0061 0.0648 0.9518
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0061 0.0648 0.9518
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0061 0.0648 0.9518
Brugia malayi Delta5 fatty acid desaturase 0.0607 0.9967 1
Brugia malayi Fatty acid desaturase family protein 0.0061 0.0648 0.0651
Leishmania major delta-12 fatty acid desaturase 0.0061 0.0648 0.0651
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0061 0.0648 0.9518
Leishmania major fatty-acid desaturase, putative 0.0063 0.0681 0.0683
Loa Loa (eye worm) FAT-3 protein 0.0607 0.9967 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0061 0.0648 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0063 0.0681 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0061 0.0648 0.0651
Mycobacterium tuberculosis Probable conserved membrane protein 0.0063 0.0681 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0061 0.0648 0.9518

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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