Detailed information for compound 1617732

Basic information

Technical information
  • TDR Targets ID: 1617732
  • Name: [[amino-(2,4-difluorophenyl)methylidene]amino ] benzoate
  • MW: 276.238 | Formula: C14H10F2N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)/C(=N/OC(=O)c1ccccc1)/N
  • InChi: 1S/C14H10F2N2O2/c15-10-6-7-11(12(16)8-10)13(17)18-20-14(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18)
  • InChiKey: JXVKJKQHDWWWMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[amino-(2,4-difluorophenyl)methylene]amino] benzoate
  • benzoic acid [[amino-(2,4-difluorophenyl)methylene]amino] ester
  • MGH 00232

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Neospora caninum Tim10/DDP family zinc finger containing protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma japonicum 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
Theileria parva mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Babesia bovis mitochondrial transport complex Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans protein trans. across mito. Intermembrane space 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
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Toxoplasma gondii TIM10 family protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus granulosus expressed protein 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 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
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 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
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans protein trans. across mito. Intermembrane space 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
Brugia malayi Papain family cysteine protease containing protein 0.0393 0.3596 0.2819
Echinococcus granulosus cysteine protease 0.0393 0.3596 0.2264
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0393 0.3596 0.3596
Trypanosoma cruzi cysteine protease, putative 0.0393 0.3596 0.3596
Schistosoma mansoni cathepsin s 0.0249 0.1081 0.1081
Brugia malayi cathepsin L-like precursor 0.051 0.5633 0.5104
Plasmodium vivax vivapain-1 0.0393 0.3596 0.2819
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.5633 0.5633
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.051 0.5633 0.5633
Trypanosoma cruzi cysteine peptidase, putative 0.0249 0.1081 0.1081
Brugia malayi Cathepsin L-like precursor 0.051 0.5633 0.5104
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0393 0.3596 0.3596
Schistosoma mansoni cathepsin F (C01 family) 0.051 0.5633 0.5633
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0249 0.1081 0.1081
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0393 0.3596 0.3596
Trypanosoma cruzi cysteine proteinase, putative 0.0393 0.3596 0.3596
Loa Loa (eye worm) hypothetical protein 0.051 0.5633 0.5633
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0393 0.3596 0.3596
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.051 0.5633 0.5633
Loa Loa (eye worm) hypothetical protein 0.0249 0.1081 0.1081
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0393 0.3596 0.3596
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0393 0.3596 0.3596
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0286 0.1721 0.1721
Echinococcus granulosus cathepsin l1 0.051 0.5633 0.4726
Brugia malayi Cathepsin L-like precursor 0.051 0.5633 0.5104
Echinococcus granulosus cathepsin L cysteine protease 0.0393 0.3596 0.2264
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0286 0.1721 0.1721
Brugia malayi Cathepsin L-like cysteine proteinase 0.051 0.5633 0.5104
Plasmodium vivax unspecified product 0.0393 0.3596 0.2819
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0286 0.1721 0.1721
Loa Loa (eye worm) hypothetical protein 0.051 0.5633 0.5633
Loa Loa (eye worm) hypothetical protein 0.0286 0.1721 0.1721
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0286 0.1721 0.1721
Loa Loa (eye worm) hypothetical protein 0.0249 0.1081 0.1081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0393 0.3596 0.3596
Trypanosoma cruzi cruzipain precursor, putative 0.0249 0.1081 0.1081
Trypanosoma cruzi cysteine peptidase, putative 0.0393 0.3596 0.3596
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0393 0.3596 0.3596
Echinococcus multilocularis cathepsin L 0.0393 0.3596 0.2264
Trypanosoma cruzi cysteine proteinase, putative 0.0393 0.3596 0.3596
Brugia malayi Papain family cysteine protease containing protein 0.0393 0.3596 0.2819
Brugia malayi cathepsin B-like cysteine proteinase 0.0286 0.1721 0.0718
Echinococcus granulosus cathepsin L 0.0393 0.3596 0.2264
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0286 0.1721 0.1721
Entamoeba histolytica cysteine proteinase, putative 0.051 0.5633 0.3182
Loa Loa (eye worm) hypothetical protein 0.051 0.5633 0.5633
Plasmodium vivax vivapain-3 0.0393 0.3596 0.2819
Loa Loa (eye worm) hypothetical protein 0.0249 0.1081 0.1081

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.71 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) = 16.7 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) = 57.87 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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