Detailed information for compound 1608447

Basic information

Technical information
  • TDR Targets ID: 1608447
  • Name: [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-bromo-3-methylphenoxy)acetate
  • MW: 411.678 | Formula: C17H16BrClN2O3
  • H donors: 1 H acceptors: 1 LogP: 4.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(O/N=C(/Cc1ccc(cc1)Cl)\N)COc1ccc(c(c1)C)Br
  • InChi: 1S/C17H16BrClN2O3/c1-11-8-14(6-7-15(11)18)23-10-17(22)24-21-16(20)9-12-2-4-13(19)5-3-12/h2-8H,9-10H2,1H3,(H2,20,21)
  • InChiKey: PQYQLOWWZYLHJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-bromo-3-methyl-phenoxy)acetate
  • 2-(4-bromo-3-methylphenoxy)acetic acid [[1-amino-2-(4-chlorophenyl)ethylidene]amino] ester
  • 2-(4-bromo-3-methyl-phenoxy)acetic acid [[1-amino-2-(4-chlorophenyl)ethylidene]amino] ester
  • [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-bromo-3-methyl-phenoxy)ethanoate
  • STOCK3S-18434

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae protein transporter TIM23 Starlite/ChEMBL No references
Saccharomyces cerevisiae protein transporter TIM10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium yoelii small zinc finger-like protein-related Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Theileria parva mitochondrial import inner membrane translocase, putative Get druggable targets OG5_128152 All targets in OG5_128152
Babesia bovis mitochondrial transport complex Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Toxoplasma gondii TIM10 family protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium yoelii hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Neospora caninum hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Loa Loa (eye worm) transport to inner mitochondrial membrane family member Get druggable targets OG5_128839 All targets in OG5_128839
Neospora caninum mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus multilocularis expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
Babesia bovis mitochondrial import inner membrane protein, putative Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
Neospora caninum Tim10/DDP family zinc finger containing protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
Theileria parva mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
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
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2713 0.2839 0.5074
Brugia malayi Carboxyl transferase domain containing protein 0.6873 0.9595 0.5
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2713 0.2839 1
Leishmania major acetyl-CoA carboxylase, putative 0.7122 1 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2713 0.2839 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2713 0.2839 0.5074
Mycobacterium ulcerans pyruvate carboxylase 0.2713 0.2839 1
Trypanosoma brucei unspecified product 0.1784 0.1329 0.1329
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2713 0.2839 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5154 0.6803 0.5
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2713 0.2839 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1215 0.0405 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2713 0.2839 0.2839
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.7122 1 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2713 0.2839 0.2839
Trypanosoma cruzi acetyl-CoA carboxylase 0.4409 0.5594 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2713 0.2839 0.2839
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2713 0.2839 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2713 0.2839 0.2839
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.7122 1 1
Chlamydia trachomatis biotin carboxylase 0.2463 0.2433 1
Trypanosoma brucei acetyl-CoA carboxylase 0.7122 1 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1215 0.0405 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2713 0.2839 0.2839
Leishmania major carboxylase, putative 0.2713 0.2839 0.2839
Toxoplasma gondii pyruvate carboxylase 0.2713 0.2839 0.2839
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.6873 0.9595 0.5
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2713 0.2839 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2713 0.2839 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5154 0.6803 0.5
Schistosoma mansoni pyruvate carboxylase 0.2713 0.2839 0.2839
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.7122 1 1
Schistosoma mansoni acetyl-CoA carboxylase 0.7122 1 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2713 0.2839 0.2839
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2713 0.2839 0.2839

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.1 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a luminescent TIM10 yeast counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 3.28 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a luminescent tim10-1 yeast counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 3.69 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via a luminescent assay. (Class of assay: confirmatory) ChEMBL. No reference

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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