Detailed information for compound 781769

Basic information

Technical information
  • TDR Targets ID: 781769
  • Name: ethyl 4-[3-(4-methoxyphenyl)-4-(3-nitrophenyl )-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl ]benzoate
  • MW: 498.487 | Formula: C27H22N4O6
  • H donors: 1 H acceptors: 5 LogP: 3.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(n[nH]2)c1ccc(cc1)OC
  • InChi: 1S/C27H22N4O6/c1-3-37-27(33)17-7-11-19(12-8-17)30-25(18-5-4-6-20(15-18)31(34)35)22-23(28-29-24(22)26(30)32)16-9-13-21(36-2)14-10-16/h4-15,25H,3H2,1-2H3,(H,28,29)
  • InChiKey: VDUBUALNVBKPMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-(4-methoxyphenyl)-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid ethyl ester
  • 4-[6-keto-3-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[4,3-d]pyrazol-5-yl]benzoic 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
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0153 0.4563 1
Plasmodium falciparum protease, putative 0.0037 0.0317 0.0695
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0153 0.4563 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.2333 0.2333
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0153 0.4563 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0256 0.0256
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0153 0.4563 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0179 0.5513 0.5513
Brugia malayi Trypsin family protein 0.0092 0.2333 0.4231
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0179 0.5513 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0153 0.4563 1
Toxoplasma gondii CAAX amino terminal protease family protein 0.0037 0.0317 0.0695
Toxoplasma gondii hypothetical protein 0.0037 0.0317 0.0695
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0153 0.4563 1
Brugia malayi Probable ClpP-like protease 0.0153 0.4563 0.8277
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0153 0.4563 0.4563
Giardia lamblia Hypothetical protein 0.0179 0.5513 0.5
Entamoeba histolytica CAAX amino terminal protease family 0.0037 0.0317 0.0116
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0256 0.0256
Toxoplasma gondii hypothetical protein 0.0053 0.0895 0.1961
Echinococcus granulosus peptidase Clp S14 family 0.01 0.2635 0.2635
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.01 0.2635 0.4744
Echinococcus multilocularis CAAX prenyl protease 2 0.0179 0.5513 0.5513
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0179 0.5513 0.5513
Plasmodium vivax protease, putative 0.0037 0.0317 0.0695
Echinococcus multilocularis snurportin 1 0.0301 1 1
Brugia malayi CAAX amino terminal protease family protein 0.0179 0.5513 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0179 0.5513 0.5
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0179 0.5513 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0256 0.0256
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0153 0.4563 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.2333 0.2333
Entamoeba histolytica CAAX amino terminal protease family 0.0037 0.0317 0.0116
Echinococcus granulosus CAAX prenyl protease 2 0.0179 0.5513 0.5513
Trypanosoma brucei CAAX amino terminal protease, putative 0.0179 0.5513 1
Entamoeba histolytica CAAX prenyl protease family 0.0179 0.5513 1
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0179 0.5513 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0053 0.0895 0.136
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0153 0.4563 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0053 0.0895 0.1961
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0153 0.4563 0.4563
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.01 0.2635 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0053 0.0895 0.1961
Echinococcus multilocularis peptidase Clp (S14 family) 0.01 0.2635 0.2635
Loa Loa (eye worm) hypothetical protein 0.0179 0.5513 0.5513
Schistosoma mansoni hypothetical protein 0.0301 1 1
Onchocerca volvulus 0.0092 0.2333 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.01 0.2635 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0153 0.4563 1
Toxoplasma gondii hypothetical protein 0.0037 0.0317 0.0695
Loa Loa (eye worm) hypothetical protein 0.0153 0.4563 0.4563
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.2333 0.2333
Brugia malayi RNA, U transporter 1 0.008 0.1906 0.3457
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0153 0.4563 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0153 0.4563 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0256 0.0256
Brugia malayi hypothetical protein 0.0035 0.0256 0.0464
Schistosoma mansoni peptidase Clp (S14 family) 0.0153 0.4563 0.4563
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.2333 0.2333

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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