Detailed information for compound 432252

Basic information

Technical information
  • TDR Targets ID: 432252
  • Name: ethyl 5-methyl-5-[[4-nitro-3-(trifluoromethyl )phenyl]carbamoyl]-1,4-dihydropyrazole-3-carb oxylate
  • MW: 388.299 | Formula: C15H15F3N4O5
  • H donors: 2 H acceptors: 4 LogP: 2.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=NNC(C1)(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
  • InChi: 1S/C15H15F3N4O5/c1-3-27-12(23)10-7-14(2,21-20-10)13(24)19-8-4-5-11(22(25)26)9(6-8)15(16,17)18/h4-6,21H,3,7H2,1-2H3,(H,19,24)
  • InChiKey: XPLWUCRBZNMULS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-5-[[4-nitro-3-(trifluoromethyl)anilino]-oxomethyl]-1,4-dihydropyrazole-3-carboxylic acid ethyl ester
  • 5-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyrazoline-3-carboxylic acid ethyl ester
  • 5-methyl-5-[[[4-nitro-3-(trifluoromethyl)phenyl]amino]-oxomethyl]-1,4-dihydropyrazole-3-carboxylic acid ethyl ester
  • 5-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyrazole-3-carboxylic acid ethyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0193 0.1054
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.1197 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1833 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1833 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0677 0.2952
Echinococcus multilocularis pyruvate kinase 0.0028 0.0835 0.3913
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0218 1 1
Mycobacterium ulcerans pyruvate kinase 0.0035 0.1197 0.1023
Entamoeba histolytica pyruvate kinase, putative 0.0025 0.0677 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1833 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0218 1 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0218 1 1
Echinococcus granulosus pyruvate kinase 0.0035 0.1197 0.6117
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.1197 0.1023
Echinococcus granulosus pyruvate kinase 0.0018 0.0361 0.1025
Echinococcus granulosus pyruvate kinase 0.0018 0.0361 0.1025
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1833 1
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0361 0.0172
Trichomonas vaginalis hypothetical protein 0.0218 1 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.1197 0.1023
Plasmodium falciparum enoyl-acyl carrier reductase 0.0218 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.1197 1
Schistosoma mansoni pyruvate kinase 0.0035 0.1197 0.6117
Loa Loa (eye worm) pyruvate kinase 0.0035 0.1197 0.6117
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1833 1
Echinococcus multilocularis pyruvate kinase 0.0035 0.1197 0.6117
Trypanosoma brucei pyruvate kinase 1 0.0035 0.1197 1
Echinococcus multilocularis pyruvate kinase 0.0035 0.1197 0.6117
Echinococcus multilocularis pyruvate kinase 0.0018 0.0361 0.1025
Chlamydia trachomatis pyruvate kinase 0.0035 0.1197 0.1023
Echinococcus multilocularis pyruvate kinase 0.0018 0.0361 0.1025
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0361 0.0172
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.1197 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1833 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0218 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.1197 1
Echinococcus multilocularis pyruvate kinase 0.0018 0.0361 0.1025
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0218 1 1
Schistosoma mansoni pyruvate kinase 0.0018 0.0361 0.1025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1833 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1833 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.1197 0.6526
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0677 0.2952
Giardia lamblia Pyruvate kinase 0.0035 0.1197 1
Leishmania major pyruvate kinase 0.0035 0.1197 1
Plasmodium falciparum pyruvate kinase 0.0035 0.1197 0.1023
Loa Loa (eye worm) pyruvate kinase 0.0035 0.1197 0.6117
Schistosoma mansoni pyruvate kinase 0.0035 0.1197 0.6117
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0361 0.0172
Echinococcus granulosus pyruvate kinase 0.0018 0.0361 0.1025
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0193 0.1054
Loa Loa (eye worm) hypothetical protein 0.0035 0.1197 0.6117
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.1197 1
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.1197 1
Loa Loa (eye worm) pyruvate kinase 0.0035 0.1197 0.6117
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0218 1 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.1197 0.6526
Echinococcus granulosus pyruvate kinase 0.0035 0.1197 0.6117
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1833 1
Plasmodium vivax pyruvate kinase, putative 0.0035 0.1197 0.1023
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0.1197 0.1023
Leishmania major pyruvate kinase 0.0035 0.1197 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) < 10 % Stimulation of prostate weight in castrated immature Sprague-Dawley rat at 2 mg/day, po after 5 days ChEMBL. 17636947
Activity (functional) < 10 % Stimulation of levator ani muscle weight in castrated immature Sprague-Dawley rat at 2 mg/day, po after 5 days ChEMBL. 17636947

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.