Detailed information for compound 660459

Basic information

Technical information
  • TDR Targets ID: 660459
  • Name: ZINC01142445
  • MW: 396.867 | Formula: C22H21ClN2O3
  • H donors: 2 H acceptors: 2 LogP: 4.61 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)Nc1ccc(c(c1)NC(=O)c1cc2ccccc2cc1OC)Cl
  • InChi: 1S/C22H21ClN2O3/c1-3-6-21(26)24-16-9-10-18(23)19(13-16)25-22(27)17-11-14-7-4-5-8-15(14)12-20(17)28-2/h4-5,7-13H,3,6H2,1-2H3,(H,24,26)(H,25,27)
  • InChiKey: OPRWOYAMSLAJSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_817490

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
Entamoeba histolytica hypothetical protein 0.0037 0.0349 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0219 0.0213
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0349 0.0344
Loa Loa (eye worm) thymidylate synthase 0.0347 0.8312 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0349 0.0419
Echinococcus granulosus tumor protein p63 0.0341 0.8142 0.9793
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0219 0.0213
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0065 0.0022
Mycobacterium ulcerans thymidylate synthase 0.0347 0.8312 1
Brugia malayi dihydrofolate reductase family protein 0.0172 0.3804 0.4548
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0172 0.3804 0.0362
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0413 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.3635 1
Echinococcus multilocularis tumor protein p63 0.0341 0.8142 0.9793
Schistosoma mansoni hypothetical protein 0.0032 0.0219 0.0263
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0065 0.0022
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0347 0.8312 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0349 0.0344
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.2009 0.2378
Brugia malayi Dihydrofolate reductase 0.0172 0.3804 0.4548
Echinococcus multilocularis dihydrofolate reductase 0.0172 0.3804 0.4534
Chlamydia trachomatis dihydrofolate reductase 0.0172 0.3804 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0219 0.0187
Schistosoma mansoni hypothetical protein 0.0032 0.0219 0.0263
Plasmodium falciparum flap endonuclease 1 0.0026 0.0065 0.0022
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0065 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0347 0.8312 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0219 0.0187
Echinococcus granulosus dihydrofolate reductase 0.0172 0.3804 0.4534
Echinococcus multilocularis GPCR, family 2 0.0032 0.0219 0.0187
Loa Loa (eye worm) hypothetical protein 0.005 0.0671 0.076
Schistosoma mansoni hypothetical protein 0.0032 0.0219 0.0263
Loa Loa (eye worm) hypothetical protein 0.0032 0.0219 0.0213
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0347 0.8312 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0413 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1181 0.1375
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.2009 0.2378
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0219 0.0213
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0065 0.0022
Entamoeba histolytica hypothetical protein 0.0037 0.0349 1
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0065 0.0026
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2482 0.295
Echinococcus multilocularis thymidylate synthase 0.0347 0.8312 1
Brugia malayi hypothetical protein 0.0037 0.0349 0.0369
Loa Loa (eye worm) hypothetical protein 0.007 0.1181 0.1375
Loa Loa (eye worm) hypothetical protein 0.0102 0.2009 0.2378
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0413 1 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0671 0.0808
Echinococcus granulosus GPCR family 2 0.0032 0.0219 0.0187
Onchocerca volvulus 0.0347 0.8312 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0413 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2482 0.295
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0413 1 1
Schistosoma mansoni hypothetical protein 0.007 0.1181 0.142
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0065 0.0022
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0165 0.3635 0.3607
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0219 0.0187
Schistosoma mansoni hypothetical protein 0.0037 0.0349 0.0419
Entamoeba histolytica hypothetical protein 0.0037 0.0349 1
Schistosoma mansoni dihydrofolate reductase 0.0172 0.3804 0.4576
Echinococcus granulosus thymidylate synthase 0.0347 0.8312 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0219 0.0187
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.2009 0.2378
Loa Loa (eye worm) dihydrofolate reductase 0.0172 0.3804 0.4548
Brugia malayi MH2 domain containing protein 0.012 0.2482 0.295
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0065 0.0022
Brugia malayi Flap endonuclease-1 0.0026 0.0065 0.0026
Brugia malayi thymidylate synthase 0.0347 0.8312 1
Brugia malayi hypothetical protein 0.0165 0.3635 0.4343
Entamoeba histolytica hypothetical protein 0.0037 0.0349 1
Schistosoma mansoni hypothetical protein 0.0032 0.0219 0.0263

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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