Detailed information for compound 1585745

Basic information

Technical information
  • TDR Targets ID: 1585745
  • Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2 -[(4-fluorophenyl)sulfonyl-(4-methoxyphenyl)a mino]acetamide
  • MW: 524.564 | Formula: C26H25FN4O5S
  • H donors: 1 H acceptors: 4 LogP: 3.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)F)CC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
  • InChi: 1S/C26H25FN4O5S/c1-18-25(26(33)31(29(18)2)21-7-5-4-6-8-21)28-24(32)17-30(20-11-13-22(36-3)14-12-20)37(34,35)23-15-9-19(27)10-16-23/h4-16H,17H2,1-3H3,(H,28,32)
  • InChiKey: BDXMUGDIIFNXLX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-(4-methoxyphenyl)amino]acetamide
  • N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4-fluorophenyl)sulfonyl-(4-methoxyphenyl)amino]acetamide
  • 2-[(4-fluorophenyl)sulfonyl-(4-methoxyphenyl)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-fluorophenyl)sulfonyl-(4-methoxyphenyl)amino]ethanamide
  • MLS000690385
  • N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(4-methoxyphenyl)glycinamide
  • SMR000300183
  • ZINC01121342

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D 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
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Loa Loa (eye worm) TAR-binding protein 0.0123 0.2574 0.3271
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.3287 0.4263
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0434 0.0361
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0269 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0705 0.0633
Brugia malayi hypothetical protein 0.0037 0.0434 0.0563
Onchocerca volvulus 0.0328 0.7711 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.2092 0.264
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.2574 0.3338
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0102 0.206 0.2362
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0434 0.0361
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0269 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0705 0.0914
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0705 0.0823
Schistosoma mansoni hypothetical protein 0.0048 0.0705 0.2516
Brugia malayi TAR-binding protein 0.0123 0.2574 0.3338
Loa Loa (eye worm) hypothetical protein 0.0328 0.7711 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0269 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0231 0.5273 0.6807
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.3287 0.4263
Schistosoma mansoni hypothetical protein 0.0037 0.0434 0.1434
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0076 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0076 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Echinococcus granulosus GPCR family 2 0.0048 0.0705 0.0633
Schistosoma mansoni hypothetical protein 0.0048 0.0705 0.2516
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.3287 0.4205
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0705 0.0914
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0434 0.1434
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0076 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0269 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0076 0.5
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 tar DNA-binding protein 0.0123 0.2574 1
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.2092 0.2713
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.2574 0.3271
Loa Loa (eye worm) hypothetical protein 0.0048 0.0705 0.0823
Brugia malayi hypothetical protein 0.003 0.0269 0.0349
Echinococcus granulosus tar DNA binding protein 0.0123 0.2574 0.2516
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Brugia malayi RNA binding protein 0.0123 0.2574 0.3338
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0269 1
Entamoeba histolytica hypothetical protein 0.0102 0.206 0.2362
Schistosoma mansoni hypothetical protein 0.0103 0.2092 0.8071
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0076 0.0099
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0269 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0359 0.8472 1
Brugia malayi MH2 domain containing protein 0.0231 0.5273 0.6838
Echinococcus multilocularis GPCR, family 2 0.0048 0.0705 0.0633
Loa Loa (eye worm) RNA binding protein 0.0123 0.2574 0.3271
Entamoeba histolytica hypothetical protein 0.0037 0.0434 0.0426
Leishmania major hypothetical protein, conserved 0.003 0.0269 1
Giardia lamblia DNA repair protein RAD52 0.0359 0.8472 1
Brugia malayi hypothetical protein 0.0328 0.7711 1
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.042 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0269 0.0253
Schistosoma mansoni hypothetical protein 0.0048 0.0705 0.2516
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0705 0.0633
Echinococcus multilocularis tar DNA binding protein 0.0123 0.2574 0.2516
Loa Loa (eye worm) transcription factor SMAD2 0.0231 0.5273 0.6807
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2574 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0705 0.0633
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0705 0.0633
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0269 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 28.1838 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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