Detailed information for compound 943775

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.375 | Formula: C24H15F4NO2
  • H donors: 1 H acceptors: 3 LogP: 6.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C
  • InChi: 1S/C24H15F4NO2/c1-13-21(23(30)31)19-12-18(25)10-11-20(19)29-22(13)16-4-2-14(3-5-16)15-6-8-17(9-7-15)24(26,27)28/h2-12H,1H3,(H,30,31)
  • InChiKey: DXLFIRZKDFPENX-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
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0213 0.1356 1
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0149 0.0886 0.1791
Echinococcus granulosus protein arginine methyltransferase 0.0031 0.0037 0.0074
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0035 0.006 0.0121
Brugia malayi SET domain containing protein 0.0124 0.0705 0.0758
Onchocerca volvulus 0.0077 0.0364 0.034
Echinococcus multilocularis spermidine synthase 0.0143 0.0843 0.1703
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0083 0.0168
Echinococcus multilocularis hepatoma derived growth factor protein 0.0077 0.0364 0.0736
Schistosoma mansoni enhancer of zeste ezh 0.0305 0.2017 0.4079
Loa Loa (eye worm) PWWP domain-containing protein 0.0077 0.0364 0.0398
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0104 0.0563 0.1874
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0242 0.156 0.3153
Echinococcus multilocularis PWWP domain containing protein 2A 0.0077 0.0364 0.0736
Toxoplasma gondii hypothetical protein 0.0065 0.0279 0.0893
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0153 0.0915 0.185
Plasmodium falciparum spermidine synthase 0.0143 0.0843 0.285
Echinococcus multilocularis protein arginine methyltransferase 0.0031 0.0037 0.0074
Brugia malayi hypothetical protein 0.0077 0.0364 0.0385
Echinococcus granulosus geminin 0.0173 0.1064 0.2151
Echinococcus granulosus PWWP domain containing protein 2A 0.0077 0.0364 0.0736
Brugia malayi Disco-interacting protein 2 homolog 0.0194 0.1213 0.1315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0192 0.1203 0.2433
Schistosoma mansoni hypothetical protein 0.0173 0.1064 0.2151
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.0026 0.0053
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0918 0.6462 0.7066
Trypanosoma brucei transcription elongation factor s-II, putative 0.0077 0.0364 0.1529
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0077 0.0364 0.2562
Brugia malayi hypothetical protein 0.0037 0.0076 0.0069
Schistosoma mansoni hepatoma derived growth factor 0.0077 0.0364 0.0736
Trypanosoma brucei Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0065 0.0279 0.1148
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0065 0.0279 0.1923
Trichomonas vaginalis set domain proteins, putative 0.1406 1 1
Onchocerca volvulus 0.0194 0.1213 0.1191
Echinococcus granulosus PWWP domain containing protein 2A 0.0077 0.0364 0.0736
Leishmania major modification methylase-like protein 0.0338 0.2256 1
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0338 0.2256 0.7779
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0213 0.1356 1
Brugia malayi PHD-finger family protein 0.003 0.0025 0.0014
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0213 0.1356 0.5969
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0028 0.0012 0.0025
Schistosoma mansoni hypothetical protein 0.0173 0.1064 0.2151
Echinococcus multilocularis geminin 0.0173 0.1064 0.2151
Loa Loa (eye worm) hypothetical protein 0.0051 0.018 0.0196
Echinococcus granulosus cpg binding protein 0.02 0.1256 0.254
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0338 0.2256 1
Trypanosoma cruzi Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0065 0.0279 0.1923
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0029 0.0023 0.0046
Brugia malayi Pre-SET motif family protein 0.0166 0.1013 0.1096
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0338 0.2256 0.4561
Schistosoma mansoni cpg binding protein 0.02 0.1256 0.254
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0305 0.2017 0.4079
Echinococcus multilocularis microtubule associated protein 2 0.0709 0.4947 1
Brugia malayi PWWP domain containing protein 0.0077 0.0364 0.0385
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0031 0.0037 0.0048
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0061 0.025 0.1017
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0338 0.2256 1
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0139 0.0819 0.1656
Leishmania major hypothetical protein, conserved 0.0065 0.0279 0.1148
Toxoplasma gondii DNA methyltransferase 2, putative 0.0338 0.2256 0.7781
Trypanosoma brucei spermidine synthase 0.0143 0.0843 0.3671
Onchocerca volvulus 0.0198 0.1244 0.1222
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0077 0.0364 0.2562
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0037 0.0014
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0025 0.0051
Brugia malayi Protein arginine N-methyltransferase 0.0029 0.0023 0.0012
Loa Loa (eye worm) hypothetical protein 0.0037 0.0076 0.0083
Brugia malayi SET domain containing protein 0.0038 0.0082 0.0076
Onchocerca volvulus 0.0077 0.0364 0.034
Brugia malayi hypothetical protein 0.0077 0.0364 0.0385
Echinococcus granulosus protein arginine N methyltransferase 8 0.0031 0.0037 0.0074
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0338 0.2256 0.4561
Echinococcus granulosus methyltransferase protein 5 0.0029 0.0023 0.0046
Schistosoma mansoni cpg binding protein 0.0198 0.1244 0.2515
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0061 0.025 0.1704
Brugia malayi hypothetical protein 0.0061 0.025 0.026
Leishmania major arginine N-methyltransferase-like protein 0.0031 0.0037 0.0062
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0037 0.0074
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0131 0.0762 0.1541
Echinococcus granulosus microtubule associated protein 2 0.0709 0.4947 1
Echinococcus granulosus peregrin 0.0106 0.058 0.1173
Entamoeba histolytica hypothetical protein 0.0077 0.0364 0.1529
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0077 0.0364 0.2562
Entamoeba histolytica hypothetical protein 0.0061 0.025 0.1017
Echinococcus granulosus protein arginine N methyltransferase 7 0.0029 0.0023 0.0046
Toxoplasma gondii hypothetical protein 0.0425 0.2893 1
Loa Loa (eye worm) hypothetical protein 0.0918 0.6462 0.7066
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0061 0.025 0.1017
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0025 0.0009
Loa Loa (eye worm) hypothetical protein 0.0192 0.1203 0.1316
Schistosoma mansoni microtubule-associated protein tau 0.0709 0.4947 1
Brugia malayi Pre-SET motif family protein 0.1288 0.9145 1
Leishmania major histone-lysine N-methyltransferase, putative 0.0065 0.0279 0.1148
Echinococcus multilocularis PWWP domain containing protein 2A 0.0077 0.0364 0.0736
Loa Loa (eye worm) hypothetical protein 0.003 0.0025 0.0028
Loa Loa (eye worm) SET domain-containing protein 0.0305 0.2017 0.2206
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.011 0.0222
Plasmodium vivax spermidine synthase, putative 0.0143 0.0843 0.3663
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0192 0.1203 0.2433
Trypanosoma brucei Histone methylation protein DOT1, putative 0.0065 0.0279 0.1148
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0213 0.1356 0.2741
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1288 0.9145 1
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0213 0.1356 0.1471
Brugia malayi SET domain containing protein 0.0139 0.0819 0.0884
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0338 0.2256 0.7781
Loa Loa (eye worm) spermidine synthase 0.0143 0.0843 0.0921
Loa Loa (eye worm) hypothetical protein 0.0918 0.6462 0.7066
Schistosoma mansoni cpg binding protein 0.02 0.1256 0.254
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0213 0.1356 0.1482
Echinococcus multilocularis peregrin 0.0106 0.058 0.1173
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0192 0.1203 0.2433
Loa Loa (eye worm) hypothetical protein 0.0035 0.006 0.0066
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0149 0.0886 0.3007
Echinococcus granulosus disco interacting protein 2 0.0194 0.1213 0.2452
Brugia malayi hypothetical protein 0.0037 0.0076 0.0069
Onchocerca volvulus 0.0037 0.0076 0.005
Schistosoma mansoni hypothetical protein 0.003 0.0025 0.0051
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.0308 0.0993
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0037 0.0074
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0025 0.0028
Schistosoma mansoni SET domain protein 0.0092 0.0474 0.0959
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0356 0.072
Loa Loa (eye worm) hypothetical protein 0.0037 0.0076 0.0083
Schistosoma mansoni suppressor of variegation 4-20-related 0.0139 0.0819 0.1656
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.051 0.3507 0.3827
Plasmodium vivax SET domain protein, putative 0.0131 0.0762 0.3304
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0083 0.0168
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0843 0.615
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0037 0.0014
Echinococcus granulosus histone lysine methyltransferase setb 0.0192 0.1203 0.2433
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0025 0.0051
Brugia malayi SET domain containing protein 0.0305 0.2017 0.2196
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.009 0.0462 0.0934
Onchocerca volvulus 0.0119 0.0673 0.0649
Schistosoma mansoni hepatoma derived growth factor 0.0077 0.0364 0.0736
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0131 0.0762 0.2577
Schistosoma mansoni histone J3 methyltransferase 0.051 0.3507 0.7091
Echinococcus granulosus DNA methyltransferase 2, putative 0.0338 0.2256 0.4561
Loa Loa (eye worm) hypothetical protein 0.051 0.3507 0.3835
Schistosoma mansoni phd finger protein 0.0077 0.0364 0.0736
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0083 0.0091
Brugia malayi F/Y-rich N-terminus family protein 0.0032 0.0039 0.0029
Leishmania major S-adenosylmethionine decarboxylase 0.0213 0.1356 0.5969
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0131 0.0762 0.1541
Schistosoma mansoni hypothetical protein 0.0053 0.0195 0.0393
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0843 0.615
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.009 0.0462 0.0934
Loa Loa (eye worm) hypothetical protein 0.0077 0.0364 0.0398
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.0516 0.1044
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0213 0.1356 0.2741
Leishmania major hypothetical protein, conserved 0.0077 0.0364 0.1529
Trypanosoma brucei histone-lysine n-methyltransferase 0.0065 0.0279 0.1148
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0843 0.615
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0061 0.025 0.1704
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0338 0.2256 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0319 0.0349
Brugia malayi Spermidine synthase 0.0143 0.0843 0.0909
Loa Loa (eye worm) hypothetical protein 0.0194 0.1213 0.1327
Giardia lamblia PHD finger protein 15 0.003 0.0025 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0071 0.0143
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0037 0.0014
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0086 0.043 0.1412
Leishmania major hypothetical protein, conserved 0.0065 0.0279 0.1148
Echinococcus granulosus hepatoma derived growth factor protein 0.0077 0.0364 0.0736
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0364 0.2562
Echinococcus granulosus histone h3 methyltransferase 0.051 0.3507 0.7091
Mycobacterium ulcerans spermidine synthase 0.0099 0.0526 0.5
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0139 0.0819 0.1656
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0255 0.0279
Trypanosoma cruzi histone-lysine N-methyltransferase, putative 0.0065 0.0279 0.1923
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0104 0.0563 0.2409
Echinococcus granulosus spermidine synthase 0.0143 0.0843 0.1703
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0213 0.1356 0.5969
Brugia malayi Carm1-pending protein 0.0149 0.0886 0.0957
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0031 0.0037 0.0074
Toxoplasma gondii hypothetical protein 0.0077 0.0364 0.119
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0371 0.075
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.0516 0.1044
Onchocerca volvulus 0.0242 0.156 0.1538
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0065 0.0279 0.1923
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0028 0.0012 0.0025
Leishmania major spermidine synthase 0.0143 0.0843 0.3671
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0029 0.0023 0.0025
Brugia malayi Bromodomain containing protein 0.003 0.0025 0.0014
Echinococcus multilocularis disco interacting protein 2 0.0194 0.1213 0.2452
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0149 0.0886 0.1791
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0037 0.0074
Echinococcus multilocularis cpg binding protein 0.02 0.1256 0.254
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0025 0.0051
Loa Loa (eye worm) hypothetical protein 0.011 0.0607 0.0664
Brugia malayi NNMT/PNMT/TEMT family protein 0.0918 0.6462 0.7062
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0425 0.2893 1
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0031 0.0037 0.0051
Loa Loa (eye worm) hypothetical protein 0.0115 0.0641 0.0701
Brugia malayi CXXC zinc finger family protein 0.0198 0.1244 0.1349
Loa Loa (eye worm) hypothetical protein 0.0037 0.0076 0.0083
Echinococcus multilocularis SET and MYND domain containing protein 3 0.0072 0.0332 0.0672
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0086 0.043 0.1815
Loa Loa (eye worm) CXXC zinc finger family protein 0.0198 0.1244 0.136
Schistosoma mansoni hypothetical protein 0.0077 0.0364 0.0736
Echinococcus multilocularis histone h3 methyltransferase 0.051 0.3507 0.7091
Echinococcus granulosus jumonji domain containing protein 0.0041 0.011 0.0222
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0025 0.0009
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0305 0.2017 0.4079
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0031 0.0037 0.0039
Brugia malayi jmjC domain containing protein 0.0098 0.0516 0.0552
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0194 0.1213 0.2452
Echinococcus granulosus SET and MYND domain containing protein 3 0.0072 0.0332 0.0672
Loa Loa (eye worm) Carm1-pending protein 0.0149 0.0886 0.0969
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0083 0.0168
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0364 0.2562
Schistosoma mansoni hypothetical protein 0.0077 0.0364 0.0736
Schistosoma mansoni protein arginine n-methyltransferase 0.0149 0.0886 0.1791
Trypanosoma cruzi spermidine synthase, putative 0.0143 0.0843 0.615
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0035 0.006 0.0121
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0099 0.0526 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.0364 0.0736
Schistosoma mansoni hypothetical protein 0.0029 0.0023 0.0046
Loa Loa (eye worm) SET domain-containing protein 0.0139 0.0819 0.0896
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0213 0.1356 0.5969
Brugia malayi jmjC domain containing protein 0.0038 0.0083 0.0077
Loa Loa (eye worm) hypothetical protein 0.0061 0.025 0.0273

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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