Detailed information for compound 795329

Basic information

Technical information
  • TDR Targets ID: 795329
  • Name: ethyl 2-[4-(4-bromo-5-methyl-3-nitropyrazol-1 -yl)butanoylamino]-4,5-dimethylthiophene-3-ca rboxylate
  • MW: 473.341 | Formula: C17H21BrN4O5S
  • H donors: 1 H acceptors: 5 LogP: 4.13 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(NC(=O)CCCn2nc(c(c2C)Br)[N+](=O)[O-])sc(c1C)C
  • InChi: 1S/C17H21BrN4O5S/c1-5-27-17(24)13-9(2)11(4)28-16(13)19-12(23)7-6-8-21-10(3)14(18)15(20-21)22(25)26/h5-8H2,1-4H3,(H,19,23)
  • InChiKey: RZAFEDCZHCYWMP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate
  • 2-[[4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
  • 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-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
Schistosoma mansoni heat shock protein 0.0044 0.0669 0.1103
Entamoeba histolytica hypothetical protein 0.0035 0.045 0.36
Echinococcus granulosus endoplasmin 0.0042 0.0606 0.0606
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0606 0.8533
Trypanosoma brucei heat shock protein 84, putative 0.003 0.0327 0.2039
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0239 0.2747
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0759 0.1544
Plasmodium falciparum heat shock protein 90, putative 0.0169 0.3516 1
Echinococcus multilocularis neuropeptide receptor A26 0.0451 1 1
Brugia malayi TAR-binding protein 0.0126 0.2543 0.5173
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2377 0.4836
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0033 0.0417 0.5746
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.0606 0.5
Treponema pallidum heat shock protein 90 0.0042 0.0606 0.5
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0033 0.0417 0.2632
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0606 0.8533
Trypanosoma cruzi Heat shock protein 83, putative 0.0044 0.0669 1
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.4915 0.4915
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2543 0.4192
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0033 0.0417 0.4135
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.045 0.045
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0033 0.0417 0.0543
Brugia malayi hypothetical protein 0.0119 0.2377 0.4836
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0669 1
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0033 0.0417 0.0687
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.2377 1
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0033 0.0417 0.4135
Loa Loa (eye worm) TAR-binding protein 0.0126 0.2543 0.5173
Leishmania major eukaryotic translation initiation factor-like 0.0033 0.0417 0.4135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0667 0.1358
Entamoeba histolytica heat shock protein 90, putative 0.0044 0.0669 1
Brugia malayi translation initiation factor 4E 0.0033 0.0417 0.0848
Echinococcus granulosus heat shock protein 90 0.0044 0.0669 0.0669
Echinococcus granulosus heat shock protein 90 0.0038 0.0522 0.0522
Brugia malayi heat shock protein 90 0.0044 0.0669 0.1361
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0723 0.1192
Brugia malayi hypothetical protein 0.0035 0.045 0.0915
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0033 0.0417 0.2632
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0669 1
Leishmania major eukaryotic translation initiation factor-like protein 0.0033 0.0417 0.4135
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0667 0.0667
Loa Loa (eye worm) hypothetical protein 0.0229 0.4915 1
Plasmodium falciparum endoplasmin, putative 0.0032 0.0389 0.0459
Schistosoma mansoni hypothetical protein 0.0047 0.0723 0.1192
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.045 0.0742
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.0327 0.0327
Schistosoma mansoni endoplasmin 0.0044 0.0669 0.1103
Loa Loa (eye worm) hypothetical protein 0.0026 0.0239 0.0486
Loa Loa (eye worm) RNA binding protein 0.0126 0.2543 0.5173
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0759 0.1544
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0042 0.0606 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.045 0.36
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0033 0.0417 0.0417
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Plasmodium vivax heat shock protein 86, putative 0.0044 0.0669 0.1313
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Echinococcus multilocularis heat shock protein 0.0044 0.0669 0.0669
Echinococcus multilocularis heat shock protein 90 0.0038 0.0522 0.0522
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Entamoeba histolytica hypothetical protein 0.0035 0.045 0.36
Toxoplasma gondii heat shock protein HSP90 0.0044 0.0669 0.1313
Loa Loa (eye worm) endoplasmin 0.0044 0.0669 0.1361
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0606 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0669 1
Echinococcus granulosus geminin 0.0164 0.3422 0.3422
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0667 0.11
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Plasmodium falciparum heat shock protein 90, putative 0.0026 0.0242 0.0009
Trypanosoma brucei Heat shock protein 83, putative 0.0044 0.0669 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0667 0.0667
Schistosoma mansoni hypothetical protein 0.0164 0.3422 0.5643
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0667 0.0667
Echinococcus granulosus X box binding protein 1 0.028 0.6065 0.6065
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0759 0.1544
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.2543 0.5173
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.2377 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0667 0.0667
Echinococcus multilocularis X box binding protein 1 0.028 0.6065 0.6065
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0417 0.4093
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0417 0.4093
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.045 0.045
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0667 0.1358
Trypanosoma cruzi heat shock protein, putative 0.003 0.0327 0.4226
Giardia lamblia Grp94/Hsp90 0.0042 0.0606 0.5748
Trypanosoma cruzi heat shock protein 90, putative 0.0044 0.0669 1
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Onchocerca volvulus 0.0047 0.0723 0.1932
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Plasmodium falciparum heat shock protein 90 0.0044 0.0669 0.1313
Trypanosoma brucei heat shock protein 90, putative 0.0044 0.0669 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0408 0.0829
Schistosoma mansoni heat shock protein 0.003 0.0327 0.0539
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0038 0.0522 0.0522
Trichomonas vaginalis endoplasmin, putative 0.0032 0.0389 0.345
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.2543 0.5173
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Leishmania major heat shock protein, putative 0.003 0.0327 0.2039
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.4915 0.4915
Loa Loa (eye worm) heat shock protein 90 0.0044 0.0669 0.1361
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Brugia malayi RNA binding protein 0.0126 0.2543 0.5173
Brugia malayi hypothetical protein 0.0017 0.003 0.006
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0669 1
Echinococcus granulosus heat shock protein 0.0044 0.0669 0.0669
Mycobacterium ulcerans heat shock protein 90 0.0042 0.0606 0.5
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Echinococcus granulosus tar DNA binding protein 0.0126 0.2543 0.2543
Loa Loa (eye worm) hypothetical protein 0.0033 0.0408 0.0829
Brugia malayi Endoplasmin precursor 0.0044 0.0669 0.1361
Schistosoma mansoni hypothetical protein 0.0033 0.0408 0.0672
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2543 0.4192
Schistosoma mansoni hypothetical protein 0.0164 0.3422 0.5643
Loa Loa (eye worm) heat shock protein 75 0.003 0.0327 0.0665
Brugia malayi Hsp90 protein 0.003 0.0327 0.0665
Entamoeba histolytica heat shock protein 90, putative 0.0044 0.0669 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0044 0.0669 1
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0389 0.345
Brugia malayi hypothetical protein 0.0229 0.4915 1
Entamoeba histolytica hypothetical protein 0.0035 0.045 0.36
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Schistosoma mansoni hypothetical protein 0.0035 0.045 0.0742
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0522 0.7515
Toxoplasma gondii Hsp90 domain-containing protein 0.0169 0.3516 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2543 0.4192
Plasmodium vivax heat shock protein 90, putative 0.003 0.0327 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2543 0.4192
Echinococcus multilocularis neuropeptide s receptor 0.0451 1 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2543 0.4192
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0239 0.2747
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0522 0.655
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0606 0.8543
Toxoplasma gondii heat shock protein 90, putative 0.0044 0.0669 0.1313
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0723 0.1471
Schistosoma mansoni heat shock protein 0.0044 0.0669 0.1103
Echinococcus multilocularis geminin 0.0164 0.3422 0.3422
Schistosoma mansoni endoplasmin 0.0044 0.0669 0.1103
Echinococcus multilocularis endoplasmin 0.0042 0.0606 0.0606
Plasmodium vivax heat shock protein, putative 0.0169 0.3516 1
Brugia malayi hypothetical protein 0.0026 0.0239 0.0486
Loa Loa (eye worm) hypothetical protein 0.0119 0.2377 0.4836
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0667 0.11
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Plasmodium vivax endoplasmin, putative 0.0044 0.0669 0.1313
Loa Loa (eye worm) translation initiation factor 4E 0.0033 0.0417 0.0848
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0033 0.0417 0.0417
Echinococcus multilocularis tar DNA binding protein 0.0126 0.2543 0.2543
Loa Loa (eye worm) hypothetical protein 0.0048 0.0759 0.1544
Toxoplasma gondii heat shock protein 75, putative 0.003 0.0327 0.0268
Trypanosoma brucei heat shock protein 90, putative 0.0044 0.0669 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0667 0.11
Schistosoma mansoni hypothetical protein 0.028 0.6065 1
Echinococcus granulosus neuropeptide receptor A26 0.0451 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0417 0.4093
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0522 0.7515
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.0327 0.0327
Leishmania major heat shock protein 83-1 0.0044 0.0669 1
Trypanosoma brucei heat shock protein, putative 0.0044 0.0669 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0417 0.4093
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0033 0.0417 0.5746
Echinococcus multilocularis heat shock protein 90 0.0044 0.0669 0.0669

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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