Detailed information for compound 1180642

Basic information

Technical information
  • TDR Targets ID: 1180642
  • Name: N-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)meth ylamino]-2-oxoethyl]thiadiazole-4-carboxamide
  • MW: 388.391 | Formula: C18H14F2N4O2S
  • H donors: 1 H acceptors: 4 LogP: 2.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNC(=O)CN(C(=O)c1csnn1)c1ccc(cc1)F
  • InChi: 1S/C18H14F2N4O2S/c19-13-3-1-12(2-4-13)9-21-17(25)10-24(15-7-5-14(20)6-8-15)18(26)16-11-27-23-22-16/h1-8,11H,9-10H2,(H,21,25)
  • InChiKey: WWOAQTXVTIINTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]thiadiazole-4-carboxamide
  • N-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-thiadiazolecarboxamide
  • N-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
  • N-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-1,2,3-thiadiazole-4-carboxamide
  • MLS000856202
  • SMR000286647
  • ASN 06481936
  • ZINC01346807

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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
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
Trichomonas vaginalis ap 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Schistosoma mansoni ap endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Cryptosporidium parvum conserved hypothetical protein 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 mansoni ap endonuclease 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Entamoeba histolytica exodeoxyribonuclease III, 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 knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
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
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.124 0.1211
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0017 0.0033 0.0071
Schistosoma mansoni chromatin regulatory protein sir2 0.0113 0.3527 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0249 0.0534
Loa Loa (eye worm) hypothetical protein 0.005 0.1235 0.2651
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.4432 0.4413
Brugia malayi NAD-dependent deacetylase SIRT1 0.0017 0.0033 0.0071
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0249 0.0216
Schistosoma mansoni ap endonuclease 0.0023 0.0249 0.0705
Loa Loa (eye worm) hypothetical protein 0.0145 0.4657 1
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0113 0.3527 0.3505
Loa Loa (eye worm) sirtuin 4 0.0017 0.0033 0.0071
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0017 0.0033 0.0071
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0113 0.3527 0.3505
Brugia malayi transcriptional regulator, Sir2 family protein 0.0017 0.0033 0.0071
Mycobacterium ulcerans hypothetical protein 0.0154 0.4997 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0113 0.3527 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0249 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0915 0.0885
Echinococcus multilocularis muscleblind protein 1 0.0145 0.4657 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1235 0.2651
Toxoplasma gondii hypothetical protein 0.0047 0.1134 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0249 0.0617
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0113 0.3527 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0249 0.0617
Schistosoma mansoni ap endonuclease 0.0023 0.0249 0.0705
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0249 0.0216
Echinococcus multilocularis chromatin regulatory protein sir2 0.0113 0.3527 0.7573
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0017 0.0033 0.0071
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0915 0.0885
Echinococcus multilocularis muscleblind protein 0.0145 0.4657 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.4997 1
Echinococcus granulosus muscleblind protein 0.0145 0.4657 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0249 0.0617
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0249 0.0617
Brugia malayi transcriptional regulator, Sir2 family protein 0.0017 0.0033 0.0071
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0915 0.0885
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0249 0.0216
Echinococcus granulosus chromatin regulatory protein sir2 0.0113 0.3527 0.7573
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0249 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0033 0.0071
Brugia malayi transcriptional regulator, Sir2 family protein 0.0113 0.3527 0.7573
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0033 0.0094
Loa Loa (eye worm) transcriptional regulator 0.0017 0.0033 0.0071
Loa Loa (eye worm) transcriptional regulator 0.0017 0.0033 0.0071
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0249 0.0534
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0113 0.3527 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0113 0.3527 0.3505
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0017 0.0033 0.0071
Schistosoma mansoni hypothetical protein 0.0034 0.0663 0.188
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0017 0.0033 0.0071
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0249 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1235 0.2651
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0915 0.0885
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0113 0.3527 0.7573
Brugia malayi Muscleblind-like protein 0.0145 0.4657 1
Leishmania major silent information regulator 2, putative 0.0113 0.3527 0.3505
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.4432 0.4413
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0113 0.3527 0.7573
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0249 0.0534
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0249 0.0434
Giardia lamblia Hypothetical protein 0.0113 0.3527 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0249 0.0534
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.4432 0.4413
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0663 0.1424
Toxoplasma gondii exonuclease III APE 0.0023 0.0249 0.1959
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0033 0.0094
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0249 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0249 0.0216
Loa Loa (eye worm) transcriptional regulator 0.0113 0.3527 0.7573
Schistosoma mansoni chromatin regulatory protein sir2 0.0113 0.3527 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0033 0.0094
Schistosoma mansoni chromatin regulatory protein sir2 0.0113 0.3527 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1235 0.2651
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0017 0.0033 0.0071
Loa Loa (eye worm) hypothetical protein 0.0034 0.0663 0.1424
Loa Loa (eye worm) hypothetical protein 0.0145 0.4657 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0033 0.0094
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0113 0.3527 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0249 0.0434

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 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) 2.2387 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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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