Detailed information for compound 875106

Basic information

Technical information
  • TDR Targets ID: 875106
  • Name: N-(3-chloro-4-methoxyphenyl)-1-(4-fluoropheny l)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxami de
  • MW: 424.855 | Formula: C22H18ClFN4O2
  • H donors: 1 H acceptors: 2 LogP: 4.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)NC(=O)c1c(C)nn(c1n1cccc1)c1ccc(cc1)F
  • InChi: 1S/C22H18ClFN4O2/c1-14-20(21(29)25-16-7-10-19(30-2)18(23)13-16)22(27-11-3-4-12-27)28(26-14)17-8-5-15(24)6-9-17/h3-13H,1-2H3,(H,25,29)
  • InChiKey: PDOPEBQVVZHBBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-methoxy-phenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide
  • N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide

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
Onchocerca volvulus 0.0217 0.0058 0.5
Loa Loa (eye worm) hypothetical protein 0.0285 0.0111 0.0059
Echinococcus multilocularis endothelin converting enzyme 1 0.0285 0.0111 0.0175
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0217 0.0058 0.5
Schistosoma mansoni aminopeptidase A (M01 family) 0.0217 0.0058 0.0186
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0217 0.0058 0.5
Brugia malayi hypothetical protein 0.1882 0.1367 0.1316
Trypanosoma cruzi Aminopeptidase M1, putative 0.0217 0.0058 0.5
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0285 0.0111 0.5
Echinococcus granulosus leukotriene A 4 hydrolase 0.4093 0.3105 1
Loa Loa (eye worm) hypothetical protein 0.0216 0.0056 0.0004
Loa Loa (eye worm) hypothetical protein 0.0217 0.0058 0.0005
Toxoplasma gondii peptidase family M13 protein 0.0285 0.0111 1
Entamoeba histolytica aminopeptidase, putative 0.0217 0.0058 0.5
Brugia malayi Peptidase family M13 containing protein 0.0285 0.0111 0.0054
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0217 0.0058 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0217 0.0058 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0217 0.0058 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.4093 0.3105 0.3069
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0285 0.0111 0.0358
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0217 0.0058 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0217 0.0058 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.0056 0.0004
Mycobacterium ulcerans zinc metalloprotease 0.0285 0.0111 1
Loa Loa (eye worm) hypothetical protein 0.0285 0.0111 0.0059
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0217 0.0058 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0217 0.0058 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0217 0.0058 0.0005
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0217 0.0058 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.0056 0.0004
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0217 0.0058 0.0186
Loa Loa (eye worm) hypothetical protein 0.0216 0.0056 0.0004
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0217 0.0058 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.0217 0.0058 0.0005
Echinococcus multilocularis leukotriene A 4 hydrolase 0.4093 0.3105 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0217 0.0058 0.5
Loa Loa (eye worm) hypothetical protein 0.0285 0.0111 0.0059
Trypanosoma brucei Aminopeptidase M1, putative 0.0217 0.0058 0.5
Onchocerca volvulus 0.0217 0.0058 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0285 0.0111 0.0175
Loa Loa (eye worm) hypothetical protein 0.0216 0.0056 0.0004
Schistosoma mansoni hypothetical protein 0.0191 0.0037 0.012
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0217 0.0058 0.0186
Loa Loa (eye worm) hypothetical protein 0.0217 0.0058 0.0005
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0285 0.0111 0.0054
Onchocerca volvulus 0.0217 0.0058 0.5
Mycobacterium leprae probable zinc metalloprotease 0.0285 0.0111 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0217 0.0058 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.4093 0.3105 1
Trypanosoma brucei aminopeptidase, putative 0.0217 0.0058 0.5
Loa Loa (eye worm) aminopeptidase N 0.0217 0.0058 0.0005
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0217 0.0058 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0217 0.0058 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0217 0.0058 0.5
Echinococcus multilocularis kinesin family 1 0.022 0.006 0.0006
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0217 0.0058 0.0186
Loa Loa (eye worm) angiotensin-converting enzyme family protein 1.2862 1 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0217 0.0058 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0217 0.0058 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0217 0.0058 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.0056 0.0004
Echinococcus granulosus kinesin family 1 0.022 0.006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0217 0.0058 0.0005
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0217 0.0058 0.5

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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