Detailed information for compound 1842448

Basic information

Technical information
  • TDR Targets ID: 1842448
  • Name: N-(4-chlorophenyl)-4-(difluoromethylsulfanyl) -5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-c arboxamide
  • MW: 376.806 | Formula: C15H15ClF2N2O3S
  • H donors: 0 H acceptors: 2 LogP: 4.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Sc1c(C)on(c1=O)C(=O)N(c1ccc(cc1)Cl)C(C)C)F
  • InChi: 1S/C15H15ClF2N2O3S/c1-8(2)19(11-6-4-10(16)5-7-11)15(22)20-13(21)12(9(3)23-20)24-14(17)18/h4-8,14H,1-3H3
  • InChiKey: OHPHVKYEZDZCTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chlorophenyl)-4-(difluoromethylsulfanyl)-N-isopropyl-5-methyl-3-oxo-isoxazole-2-carboxamide
  • N-(4-chlorophenyl)-4-(difluoromethylthio)-N-isopropyl-5-methyl-3-oxo-2-isoxazolecarboxamide
  • N-(4-chlorophenyl)-4-(difluoromethylthio)-N-isopropyl-3-keto-5-methyl-isoxazole-2-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
Loa Loa (eye worm) hypothetical protein 0.0047 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.0073 0.0404 0.0404
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.0051 0.0051
Brugia malayi jmjC domain containing protein 0.0033 0.0051 0.0051
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1162 1 0.5
Giardia lamblia PHD finger protein 15 0.0027 0 0.5
Echinococcus multilocularis lysosomal protective protein 0.1162 1 1
Onchocerca volvulus Glucosylceramidase homolog 0.0158 0.1155 0.1155
Trichomonas vaginalis glucosylceramidase, putative 0.0241 0.1886 1
Trichomonas vaginalis glucosylceramidase, putative 0.0241 0.1886 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0073 0.0404 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0404 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0048 0.0182 0.0182
Echinococcus granulosus lysosomal protective protein 0.1162 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0404 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0038 0.0094 0.0094
Brugia malayi Probable ClpP-like protease 0.0073 0.0404 0.0404
Trichomonas vaginalis glucosylceramidase, putative 0.0241 0.1886 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0241 0.1886 0.1886
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0073 0.0404 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1162 1 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0033 0.0051 0.0051
Echinococcus multilocularis peptidase Clp (S14 family) 0.0048 0.0182 0.0182
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0404 1
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.0965 0.0965
Echinococcus multilocularis lysine specific demethylase 5A 0.0033 0.0051 0.0051
Brugia malayi jmjC domain containing protein 0.0089 0.0546 0.0546
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1162 1 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1162 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.123 0.1027
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0089 0.0546 0.0546
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.0965 0.0965
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1047 0.8988 0.8988
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0073 0.0404 0.0404
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1162 1 0.5
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1047 0.8988 0.8988
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.1162 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0033 0.0051 0.0051
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0048 0.0182 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1162 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1162 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0404 1
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.1162 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0404 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0241 0.1886 0.1886
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0115 0.0772 0.0772
Echinococcus granulosus jumonji domain containing protein 0.0038 0.0094 0.0094
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0404 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0033 0.0051 0.0051
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0073 0.0404 0.0404
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.1162 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0073 0.0404 0.0404
Trichomonas vaginalis glucosylceramidase, putative 0.0241 0.1886 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.1162 1 0.5
Brugia malayi MH2 domain containing protein 0.0137 0.0965 0.0965
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0404 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0404 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0241 0.1886 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0048 0.0182 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0073 0.0404 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0089 0.0546 0.0546
Loa Loa (eye worm) jmjC domain-containing protein 0.0056 0.0256 0.0256
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.123 0.1027
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1162 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0241 0.1886 1
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0385 0.0385

Activities

Activity type Activity value Assay description Source Reference
GI (ADMET) = 11 % Phytotoxicity against Oryza sativa (rice) assessed as growth inhibition at 10 g/a after 3 weeks in greenhouse conditions ChEMBL. 10783070

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.