Detailed information for compound 1451202

Basic information

Technical information
  • TDR Targets ID: 1451202
  • Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2 -[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonylam ino]acetamide
  • MW: 538.59 | Formula: C27H27FN4O5S
  • H donors: 1 H acceptors: 4 LogP: 4.24 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)F)CC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
  • InChi: 1S/C27H27FN4O5S/c1-4-37-23-14-12-21(13-15-23)31(38(35,36)24-16-10-20(28)11-17-24)18-25(33)29-26-19(2)30(3)32(27(26)34)22-8-6-5-7-9-22/h5-17H,4,18H2,1-3H3,(H,29,33)
  • InChiKey: JYUGCOHAQANNGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonyl-amino]acetamide
  • N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonylamino]acetamide
  • 2-[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonyl-amino]-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)acetamide
  • N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonyl-amino]ethanamide
  • ZINC02884297

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Plasmodium knowlesi 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 japonicum ko:K10772 AP endonuclease 2, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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
Trichomonas vaginalis ap endonuclease, putative 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 mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Brugia malayi exodeoxyribonuclease III family protein 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Giardia lamblia DNA repair protein RAD52 0.0359 0.8472 1
Loa Loa (eye worm) transcription factor SMAD2 0.0231 0.5273 0.6807
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0076 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0076 0.5
Brugia malayi hypothetical protein 0.003 0.0269 0.0349
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0076 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0269 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0705 0.0633
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.3287 0.4263
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0705 0.0633
Loa Loa (eye worm) RNA binding protein 0.0123 0.2574 0.3271
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.2092 0.2713
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0434 0.0361
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0269 1
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0269 1
Loa Loa (eye worm) TAR-binding protein 0.0123 0.2574 0.3271
Brugia malayi RNA binding protein 0.0123 0.2574 0.3338
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.3287 0.4205
Schistosoma mansoni hypothetical protein 0.0048 0.0705 0.2516
Schistosoma mansoni hypothetical protein 0.0048 0.0705 0.2516
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Onchocerca volvulus 0.0328 0.7711 0.5
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0705 0.0914
Schistosoma mansoni hypothetical protein 0.0048 0.0705 0.2516
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0076 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0434 0.1434
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Schistosoma mansoni hypothetical protein 0.0037 0.0434 0.1434
Brugia malayi hypothetical protein 0.0328 0.7711 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0269 0.0253
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0359 0.8472 1
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.2574 0.3338
Loa Loa (eye worm) hypothetical protein 0.0151 0.3287 0.4205
Loa Loa (eye worm) hypothetical protein 0.0103 0.2092 0.264
Brugia malayi MH2 domain containing protein 0.0231 0.5273 0.6838
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.2574 0.3271
Leishmania major hypothetical protein, conserved 0.003 0.0269 1
Brugia malayi TAR-binding protein 0.0123 0.2574 0.3338
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0705 0.0823
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0269 1
Echinococcus granulosus tar DNA binding protein 0.0123 0.2574 0.2516
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.042 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0705 0.0914
Brugia malayi hypothetical protein 0.0037 0.0434 0.0563
Echinococcus multilocularis GPCR, family 2 0.0048 0.0705 0.0633
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0269 1
Echinococcus multilocularis tar DNA binding protein 0.0123 0.2574 0.2516
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0705 0.0633
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0102 0.206 0.2362
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0269 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0269 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0434 0.0361
Entamoeba histolytica hypothetical protein 0.0102 0.206 0.2362
Loa Loa (eye worm) MH2 domain-containing protein 0.0231 0.5273 0.6807
Loa Loa (eye worm) hypothetical protein 0.0048 0.0705 0.0823
Echinococcus granulosus GPCR family 2 0.0048 0.0705 0.0633
Loa Loa (eye worm) hypothetical protein 0.0328 0.7711 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.3287 0.4263
Schistosoma mansoni hypothetical protein 0.0103 0.2092 0.8071
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0076 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0705 0.0633
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0076 0.0099
Schistosoma mansoni hypothetical protein 0.0048 0.0705 0.2516
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0076 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7519 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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) 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) 32.6427 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) 36.6257 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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

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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