Detailed information for compound 1511036

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 247.24 | Formula: C14H11F2NO
  • H donors: 1 H acceptors: 1 LogP: 2.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C(c1ccc(c(c1)F)c1ccccc1)F
  • InChi: 1S/C14H11F2NO/c15-12-8-10(13(16)14(17)18)6-7-11(12)9-4-2-1-3-5-9/h1-8,13H,(H2,17,18)
  • InChiKey: QFRPRCSMDFKNLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus lysine specific demethylase 6a 0.0312 0.4892 0.4453
Echinococcus multilocularis lysine specific demethylase 6a 0.0312 0.4892 0.4453
Brugia malayi CXXC zinc finger family protein 0.0148 0.192 0.192
Schistosoma mansoni cpg binding protein 0.0148 0.192 0.1383
Schistosoma mansoni cpg binding protein 0.0148 0.192 0.1383
Loa Loa (eye worm) hypothetical protein 0.0312 0.4892 0.681
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0212 0.3091 0.2497
Entamoeba histolytica hypothetical protein, conserved 0.0099 0.1034 0.5
Loa Loa (eye worm) hypothetical protein 0.0219 0.3212 0.4471
Loa Loa (eye worm) hypothetical protein 0.0202 0.2902 0.4039
Loa Loa (eye worm) jmjC domain-containing protein 0.0416 0.6781 0.9439
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0212 0.3091 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.005 0.0142 0.5
Brugia malayi Bromodomain containing protein 0.0086 0.0792 0.0792
Echinococcus multilocularis cpg binding protein 0.0148 0.192 0.1226
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0212 0.3091 1
Echinococcus multilocularis phd:f box containing protein 0.0212 0.3091 0.2497
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0099 0.1034 0.5
Echinococcus granulosus JmjC domain containing protein 4 0.0212 0.3091 0.2497
Loa Loa (eye worm) jmjC domain-containing protein 0.0177 0.2452 0.3413
Schistosoma mansoni jumonji/arid domain-containing protein 0.0416 0.6781 0.7341
Echinococcus multilocularis lysine specific demethylase 5A 0.0416 0.6781 0.6504
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.1034 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.1034 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0202 0.2902 0.2291
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0099 0.1034 0.5
Schistosoma mansoni jumonji domain containing protein 0.0535 0.8951 1
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0099 0.1034 0.5
Schistosoma mansoni jumonji domain containing protein 0.0438 0.7184 0.7835
Plasmodium falciparum JmjC domain-containing protein, putative 0.0212 0.3091 1
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0099 0.1034 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0202 0.2902 0.2291
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0202 0.2902 0.2586
Echinococcus multilocularis jumonji domain containing 1A 0.0438 0.7184 0.6942
Brugia malayi PHD-finger family protein 0.0086 0.0792 0.0792
Loa Loa (eye worm) jmjC domain-containing protein 0.0438 0.7184 1
Brugia malayi SWIRM domain containing protein 0.0219 0.3212 0.3212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0416 0.6781 0.7341
Brugia malayi amine oxidase, flavin-containing family protein 0.0058 0.0289 0.0289
Brugia malayi jmjC domain containing protein 0.0212 0.3091 0.3091
Loa Loa (eye worm) hypothetical protein 0.0058 0.0289 0.0402
Onchocerca volvulus 0.0219 0.3212 1
Leishmania major hypothetical protein, conserved 0.0212 0.3091 1
Brugia malayi jmjC domain containing protein 0.018 0.2509 0.2509
Schistosoma mansoni cpg binding protein 0.0148 0.192 0.1383
Brugia malayi Cytochrome P450 family protein 0.005 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0332 0.526 0.7322
Loa Loa (eye worm) CYP4Cod1 0.005 0.0142 0.0198
Brugia malayi jmjC domain containing protein 0.018 0.2509 0.2509
Brugia malayi jmjC domain containing protein 0.0312 0.4892 0.4892
Brugia malayi jmjC domain containing protein 0.0416 0.6781 0.6781
Brugia malayi Cytochrome P450 family protein 0.005 0.0142 0.0142
Loa Loa (eye worm) CXXC zinc finger family protein 0.0148 0.192 0.2673
Brugia malayi jmjC domain containing protein 0.0212 0.3091 0.3091
Loa Loa (eye worm) jmjC domain-containing protein 0.0212 0.3091 0.4302
Loa Loa (eye worm) hypothetical protein 0.0099 0.1034 0.144
Echinococcus granulosus jumonji domain containing protein 0.0119 0.1402 0.0663
Loa Loa (eye worm) hypothetical protein 0.0086 0.0792 0.1102
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0212 0.3091 1
Echinococcus granulosus lysine specific demethylase 5A 0.0416 0.6781 0.6504
Onchocerca volvulus 0.0148 0.192 0.4663
Plasmodium vivax JmjC domain containing protein 0.0212 0.3091 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0212 0.3091 0.2497
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.1034 0.5
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0212 0.3091 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0263 0.4003 0.5572
Loa Loa (eye worm) hypothetical protein 0.0099 0.1034 0.144
Schistosoma mansoni protein phosphatase 2C 0.0212 0.3091 0.2818
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0142 0.0198
Loa Loa (eye worm) PHD-finger family protein 0.0086 0.0792 0.1102
Echinococcus multilocularis JmjC domain containing protein 4 0.0212 0.3091 0.2497
Giardia lamblia PHD finger protein 15 0.0086 0.0792 0.5
Echinococcus granulosus jumonji domain containing 1A 0.0438 0.7184 0.6942
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0312 0.4892 0.5026
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0142 0.0198
Echinococcus granulosus phd:f box containing protein 0.0212 0.3091 0.2497
Loa Loa (eye worm) hypothetical protein 0.0202 0.2902 0.4039
Schistosoma mansoni phosphatidylserine receptor 0.0212 0.3091 0.2818
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.1034 0.5
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0099 0.1034 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0212 0.3091 0.4302
Schistosoma mansoni phd/f-box containing protein 0.0212 0.3091 0.2818
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0099 0.1034 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0119 0.1402 0.0663
Brugia malayi follicle stimulating hormone receptor 0.0263 0.4003 0.4003
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0212 0.3091 1
Brugia malayi jmjC domain containing protein 0.0438 0.7184 0.7184
Echinococcus granulosus cpg binding protein 0.0148 0.192 0.1226
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0099 0.1034 0.5
Loa Loa (eye worm) hypothetical protein 0.0393 0.6366 0.8862

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 102.8 % Cytotoxicity against mouse RAW264.7 cells assessed as cell viability at 1 uM after 24 hrs by MTT assay relative to control ChEMBL. 21405086
Inhibition (functional) = 101 % Antiamyloidogenic activity in mouse N2A cells transfected with human APP Swedish mutant assessed as reduction of amyloid beta (1 to 42) level at 1 uM after 24 hrs by ELISA relative to control ChEMBL. 21405086

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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