Detailed information for compound 1313072

Basic information

Technical information
  • TDR Targets ID: 1313072
  • Name: Oprea1_258237
  • MW: 317.742 | Formula: C17H13ClFNO2
  • H donors: 1 H acceptors: 2 LogP: 3.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(c1c(C)onc1c1ccccc1Cl)O
  • InChi: 1S/C17H13ClFNO2/c1-10-15(17(21)11-6-8-12(19)9-7-11)16(20-22-10)13-4-2-3-5-14(13)18/h2-9,17,21H,1H3
  • InChiKey: YMXOPZVQTQUWKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
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
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1582 0.6175
Echinococcus granulosus tissue type plasminogen activator 0.0063 0.1916 0.7479
Entamoeba histolytica hypothetical protein 0.003 0.0382 1
Toxoplasma gondii carbamoylphosphate synthetase 0.0031 0.041 0.2138
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2561 1
Wolbachia endosymbiont of Brugia malayi AICAR transformylase/IMP cyclohydrolase PurH 0.0235 1 1
Brugia malayi Protein kinase domain containing protein 0.0063 0.1916 0.7479
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.1582 0.8257
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0382 0.1996
Schistosoma mansoni hypothetical protein 0.0063 0.1916 0.7479
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1582 0.6175
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.1916 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2561 1
Leishmania major hypothetical protein, conserved 0.0063 0.1916 1
Giardia lamblia GTOR 0.0022 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2561 1
Echinococcus granulosus serine protein kinase ATM 0.003 0.0382 0.1493
Leishmania major carbamoyl-phosphate synthase, putative 0.0031 0.041 0.2138
Onchocerca volvulus 0.0063 0.1916 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0002 0.001
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1582 0.6175
Toxoplasma gondii kringle domain-containing protein 0.0063 0.1916 1
Brugia malayi Kringle domain containing protein 0.0063 0.1916 0.7479
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0382 0.1493
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0185 0.0968
Loa Loa (eye worm) RNA binding protein 0.0076 0.2561 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2561 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0031 0.041 0.1599
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0063 0.1916 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.0724
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2561 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0382 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.1582 0.6175
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.1031 0.4025
Brugia malayi TAR-binding protein 0.0076 0.2561 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0382 0.1493
Brugia malayi RNA binding protein 0.0076 0.2561 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2561 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1582 0.1222
Toxoplasma gondii FATC domain-containing protein 0.003 0.0382 0.1996
Echinococcus multilocularis tissue type plasminogen activator 0.0063 0.1916 0.7479
Loa Loa (eye worm) hypothetical protein 0.0063 0.1916 0.7479
Brugia malayi Cytochrome P450 family protein 0.0044 0.1031 0.4025
Echinococcus multilocularis serine protein kinase ATM 0.003 0.0382 0.1493
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0382 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.2561 1
Mycobacterium tuberculosis Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo 0.0235 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2561 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2561 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0063 0.1916 0.7479
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2561 1
Mycobacterium ulcerans bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase 0.0235 1 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0063 0.1916 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0002 0.001
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1582 0.1222
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.1406 0.5491

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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