Detailed information for compound 781542

Basic information

Technical information
  • TDR Targets ID: 781542
  • Name: methyl 1-[2-[(4-acetylphenyl)amino]-2-oxoethy l]pyrazole-3-carboxylate
  • MW: 301.297 | Formula: C15H15N3O4
  • H donors: 1 H acceptors: 4 LogP: 1.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccn(n1)CC(=O)Nc1ccc(cc1)C(=O)C
  • InChi: 1S/C15H15N3O4/c1-10(19)11-3-5-12(6-4-11)16-14(20)9-18-8-7-13(17-18)15(21)22-2/h3-8H,9H2,1-2H3,(H,16,20)
  • InChiKey: CWAYABXYDVVZCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 1-[2-[(4-acetylphenyl)amino]-2-oxo-ethyl]pyrazole-3-carboxylate
  • 1-[2-[(4-acetylphenyl)amino]-2-oxoethyl]-3-pyrazolecarboxylic acid methyl ester
  • 1-[2-[(4-acetylphenyl)amino]-2-keto-ethyl]pyrazole-3-carboxylic acid methyl ester
  • methyl 1-[2-[(4-ethanoylphenyl)amino]-2-oxo-ethyl]pyrazole-3-carboxylate
  • A3885/0165154
  • ZINC04728170

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
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0177 0.2474 0.2299
Leishmania major hypothetical protein, conserved 0.0051 0.0549 1
Brugia malayi TAR-binding protein 0.0061 0.0701 0.4583
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.031 0.4261
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.031 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0439 0.0217
Schistosoma mansoni hypothetical protein 0.0164 0.2273 0.2094
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0252 0.5
Echinococcus granulosus Ubiquinol cytochrome c reductase complex 14 kDa 0.0224 0.3195 0.3036
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0701 0.0485
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.031 0.4261
Loa Loa (eye worm) hypothetical protein 0.0224 0.3195 1
Trypanosoma cruzi ubiquinol-cytochrome c reductase complex 14kD subunit, putative 0.0051 0.0549 1
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0771 0.5041
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.031 0.0085
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.153 0.4565
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0701 0.0485
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0439 0.0217
Schistosoma mansoni alkaline phosphatase 0.0177 0.2474 0.2299
Echinococcus multilocularis microtubule associated protein 2 0.0667 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0439 0.0217
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.031 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0701 0.0485
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.124 0.8105
Loa Loa (eye worm) hypothetical protein 0.0096 0.124 0.3618
Echinococcus multilocularis alkaline phosphatase 0.0177 0.2474 0.2299
Schistosoma mansoni Ubiquinol-cytochrome c reductase complex 14 kDa protein 0.0224 0.3195 0.3036
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.031 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.031 0.5
Trypanosoma brucei ubiquinol-cytochrome c reductase complex 14 kda protein 0.0051 0.0549 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0227 0.031
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0177 0.2474 0.2299
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.153 0.4565
Loa Loa (eye worm) hypothetical protein 0.0031 0.0227 0.031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0439 0.0217
Plasmodium falciparum cytochrome b-c1 complex subunit 7, putative 0.0051 0.0549 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.0701 0.1858
Brugia malayi RNA binding protein 0.0061 0.0701 0.4583
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0252 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0701 0.0485
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.031 0.0085
Schistosoma mansoni hypothetical protein 0.0066 0.0771 0.0557
Trypanosoma cruzi ubiquinol-cytochrome c reductase complex 14kD subunit, putative 0.0051 0.0549 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0439 0.1002
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0177 0.2474 0.2299
Loa Loa (eye worm) inositol-1 0.0036 0.031 0.0579
Brugia malayi Inositol-1 0.0036 0.031 0.2026
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.031 0.4261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0439 0.0217
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.031 0.5
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0177 0.2474 0.2299
Echinococcus granulosus tar DNA binding protein 0.0061 0.0701 0.0485
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0701 0.4583
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.031 0.4261
Echinococcus granulosus intestinal type alkaline phosphatase 0.0177 0.2474 0.2299
Brugia malayi MH2 domain containing protein 0.0115 0.153 1
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0177 0.2474 0.2299
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0227 0.1486
Schistosoma mansoni hypothetical protein 0.0092 0.1169 0.0964
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0701 0.1858
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0701 0.0485
Schistosoma mansoni microtubule-associated protein tau 0.0667 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.031 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0439 0.0217
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0701 0.1858
Toxoplasma gondii ubiquinol-cytochrome c reductase 0.0051 0.0549 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0701 0.0485
Echinococcus multilocularis Ubiquinol cytochrome c reductase complex 14 kDa 0.0224 0.3195 0.3036
Schistosoma mansoni inositol monophosphatase 0.0036 0.031 0.0085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0439 0.0217
Echinococcus granulosus geminin 0.0164 0.2273 0.2094
Echinococcus granulosus alkaline phosphatase 0.0177 0.2474 0.2299
Schistosoma mansoni alkaline phosphatase 0.0177 0.2474 0.2299
Loa Loa (eye worm) hypothetical protein 0.0066 0.0771 0.2087
Plasmodium vivax ubiquinol-cytochrome c reductase complex subunit, putative 0.0051 0.0549 1
Echinococcus multilocularis geminin 0.0164 0.2273 0.2094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.124 0.3618
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0439 0.2871
Schistosoma mansoni hypothetical protein 0.0164 0.2273 0.2094
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.124 0.8105
Brugia malayi hypothetical protein 0.0024 0.0133 0.0866
Schistosoma mansoni inositol monophosphatase 0.0036 0.031 0.0085
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.031 0.4261
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0227 0.1486

Activities

No activities found for this compound.

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

No literature references available for this target.

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