Detailed information for compound 845159

Basic information

Technical information
  • TDR Targets ID: 845159
  • Name: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran- 3-yl]-2-methylsulfanylpyrimidine-4-carboxamid e
  • MW: 467.925 | Formula: C23H18ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 5.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1nc(SC)ncc1Cl)cccc2
  • InChi: 1S/C23H18ClN3O4S/c1-3-30-14-10-8-13(9-11-14)20(28)21-18(15-6-4-5-7-17(15)31-21)26-22(29)19-16(24)12-25-23(27-19)32-2/h4-12H,3H2,1-2H3,(H,26,29)
  • InChiKey: IHUIGPYCLLCREC-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide
  • 5-chloro-N-[2-[(4-ethoxyphenyl)-oxomethyl]-3-benzofuranyl]-2-(methylthio)-4-pyrimidinecarboxamide
  • 5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]-2-(methylthio)pyrimidine-4-carboxamide
  • 5-chloro-N-[2-(4-ethoxyphenyl)carbonyl-1-benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

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 hypothetical protein 0.0117 0.0122 0.0057
Toxoplasma gondii aminopeptidase N protein 0.0117 0.0122 1
Brugia malayi TATA binding protein associated factor 0.0117 0.0122 0.0057
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0117 0.0122 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Loa Loa (eye worm) hypothetical protein 0.0096 0.0066 0.0066
Entamoeba histolytica aminopeptidase, putative 0.0117 0.0122 0.5
Onchocerca volvulus 0.0117 0.0122 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0117 0.0122 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0096 0.0066 0.5
Brugia malayi Peptidase family M1 containing protein 0.0117 0.0122 0.0057
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0117 0.0122 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0117 0.0122 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0117 0.0122 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0072 0.0004 0.0004
Toxoplasma gondii aminopeptidase n, putative 0.0117 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0004 0.0004
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Echinococcus multilocularis leukotriene A 4 hydrolase 0.2209 0.5617 1
Onchocerca volvulus 0.0117 0.0122 0.5
Mycobacterium leprae probable zinc metalloprotease 0.0096 0.0066 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0117 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0072 0.0004 0.0004
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0117 0.0122 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0117 0.0122 0.0122
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0117 0.0122 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0117 0.0122 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0117 0.0122 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Echinococcus multilocularis aminopeptidase N 0.0117 0.0122 0.0102
Brugia malayi hypothetical protein 0.0117 0.0122 0.0057
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.2209 0.5617 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0117 0.0122 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0117 0.0122 0.5
Schistosoma mansoni aminopeptidase A (M01 family) 0.0117 0.0122 0.0102
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0117 0.0122 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0117 0.0122 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Echinococcus granulosus aminopeptidase N 0.0117 0.0122 0.0102
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0117 0.0122 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0117 0.0122 0.0102
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0117 0.0122 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0117 0.0122 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.0117 0.0122 0.0122
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Loa Loa (eye worm) hypothetical protein 0.0117 0.0122 0.0122
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0117 0.0122 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0117 0.0122 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0117 0.0122 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.3878 1 1
Brugia malayi hypothetical protein 0.1016 0.2482 0.2432
Loa Loa (eye worm) leukotriene A4 hydrolase 0.2209 0.5617 0.5617
Brugia malayi Peptidase family M1 containing protein 0.0117 0.0122 0.0057
Trypanosoma brucei aminopeptidase, putative 0.0117 0.0122 0.5
Onchocerca volvulus 0.0117 0.0122 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0117 0.0122 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0117 0.0122 0.5
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0117 0.0122 0.0102
Echinococcus granulosus leukotriene A 4 hydrolase 0.2209 0.5617 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0066 0.0066
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0117 0.0122 0.0102
Loa Loa (eye worm) peptidase family M1 containing protein 0.0117 0.0122 0.0122
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0117 0.0122 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0004 0.0004
Loa Loa (eye worm) aminopeptidase N 0.0117 0.0122 0.0122
Brugia malayi Peptidase family M1 containing protein 0.0117 0.0122 0.0057
Loa Loa (eye worm) hypothetical protein 0.0117 0.0122 0.0122
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0117 0.0122 0.0102
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0117 0.0122 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0117 0.0122 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.0122 0.0102

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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