Detailed information for compound 898658

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.365 | Formula: C22H15FN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC(=O)c1cc2c(oc1=Nc1ccc(cc1)F)ccc1c2cccc1
  • InChi: 1S/C22H15FN2O3/c1-13(26)24-21(27)19-12-18-17-5-3-2-4-14(17)6-11-20(18)28-22(19)25-16-9-7-15(23)8-10-16/h2-12H,1H3,(H,24,26,27)/b25-22-
  • InChiKey: DNYUVZJNJRTEEM-LVWGJNHUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.11 0.1364
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1062 0.133
Brugia malayi DNA topoisomerase I 0.0208 0.7984 0.7982
Leishmania major DNA polymerase eta, putative 0.0039 0.1125 0.1862
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.1173 1
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0772 0.0956
Echinococcus multilocularis dna polymerase eta 0.0067 0.2257 0.2827
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.3592 0.45
Onchocerca volvulus Alhambra homolog 0.0031 0.0772 0.0061
Echinococcus multilocularis geminin 0.0177 0.6738 0.8439
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0772 0.0767
Plasmodium falciparum phd finger protein, putative 0.0031 0.0772 0.0956
Echinococcus multilocularis dna polymerase kappa 0.004 0.1173 0.147
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0204 0.0199
Trypanosoma brucei unspecified product 0.004 0.1173 0.1945
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0604 0.0967
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0792 0.0977
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0204 0.0256
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0772 0.0952
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0604 0.0967
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.2095 0.2613
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0792 0.0992
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.1125 0.1364
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0278 0.0332
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.3592 0.45
Brugia malayi hypothetical protein 0.0017 0.0224 0.0219
Mycobacterium ulcerans DNA polymerase IV 0.004 0.1173 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0772 0.092
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0792 0.0992
Plasmodium falciparum topoisomerase I 0.0208 0.7984 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0664 0.107
Schistosoma mansoni cpg binding protein 0.0031 0.0787 0.0971
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0204 0.0279
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0721 0.0903
Echinococcus granulosus DNA topoisomerase 1 0.0208 0.7984 1
Schistosoma mansoni DNA polymerase IV / kappa 0.0013 0.0042 0.0036
Loa Loa (eye worm) hypothetical protein 0.0052 0.1658 0.1653
Onchocerca volvulus 0.0031 0.0792 0.0084
Plasmodium vivax SET domain protein, putative 0.0031 0.0792 0.0981
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.1125 0.1862
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.11 0.1364
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0204 0.0279
Trypanosoma brucei DNA polymerase eta, putative 0.0067 0.2257 0.3807
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0772 0.0967
Leishmania major hypothetical protein, conserved 0.0026 0.0604 0.0967
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.1173 0.1456
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1173 0.1945
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1173 0.1945
Loa Loa (eye worm) hypothetical protein 0.0031 0.0772 0.0767
Schistosoma mansoni hypothetical protein 0.0177 0.6738 0.8437
Echinococcus multilocularis DNA topoisomerase 1 0.0208 0.7984 1
Echinococcus multilocularis peregrin 0.0031 0.0772 0.0967
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0604 0.0745
Giardia lamblia DINP protein human, muc B family 0.004 0.1173 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1173 0.1945
Echinococcus multilocularis cpg binding protein 0.0031 0.0787 0.0986
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0204 0.0279
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1062 0.133
Brugia malayi isocitrate dehydrogenase 0.0017 0.0204 0.0199
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1173 0.1945
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1826 0.2247
Brugia malayi hypothetical protein 0.0026 0.0604 0.0599
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1173 0.1945
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0719 0.0715
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0604 0.0708
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0604 0.0745
Loa Loa (eye worm) hypothetical protein 0.0031 0.0792 0.0787
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1173 0.1945
Brugia malayi hypothetical protein 0.0038 0.1062 0.1058
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0013 0.0016
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0204 0.0199
Loa Loa (eye worm) hypothetical protein 0.0067 0.2257 0.2253
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0664 0.107
Echinococcus granulosus geminin 0.0177 0.6738 0.8439
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0792 0.0977
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.1173 0.1169
Echinococcus granulosus peregrin 0.0031 0.0772 0.0967
Plasmodium falciparum DNA repair protein REV1, putative 0.0013 0.0042 0.004
Schistosoma mansoni jumonji domain containing protein 0.0079 0.2758 0.3444
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0345 0.034
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.1173 0.1456
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0013 0.0016
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1173 0.1945
Giardia lamblia PHD finger protein 15 0.0031 0.0772 0.6452
Schistosoma mansoni hypothetical protein 0.0031 0.0772 0.0952
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.2257 0.3807
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.1173 0.147
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0204 0.0256
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0792 0.0945
Schistosoma mansoni cpg binding protein 0.0029 0.0719 0.0886
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0052 0.1656 0.2774
Echinococcus granulosus cpg binding protein 0.0031 0.0787 0.0986
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.1173 1
Schistosoma mansoni cpg binding protein 0.0031 0.0787 0.0971
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0792 0.0977
Leishmania major DNA polymerase eta, putative 0.0067 0.2257 0.3807
Brugia malayi jmjC domain containing protein 0.0039 0.11 0.1096
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Loa Loa (eye worm) hypothetical protein 0.0258 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0204 0.0279
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.2092 0.2088
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0052 0.1656 0.2774
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0604 0.0745
Leishmania major DNA topoisomerase IB, large subunit 0.0156 0.586 1
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0156 0.586 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.4609 0.4606
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Echinococcus granulosus dna polymerase kappa 0.004 0.1173 0.147
Schistosoma mansoni DNA topoisomerase type I 0.0156 0.586 0.7336
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0204 0.0256
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.1257 0.1575
Brugia malayi polk-prov protein 0.0013 0.0042 0.0037
Brugia malayi PHD-finger family protein 0.0031 0.0772 0.0767
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.1173 0.1169
Brugia malayi CXXC zinc finger family protein 0.0029 0.0719 0.0715
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0664 0.107
Loa Loa (eye worm) DNA topoisomerase I 0.0208 0.7984 0.7982
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0204 0.0279
Loa Loa (eye worm) hypothetical protein 0.0026 0.0604 0.0599
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0792 0.0977
Plasmodium vivax DNA repair protein REV1, putative 0.0013 0.0042 0.004
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0772 0.092
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0204 0.0205
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0204 0.0256
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.1173 1
Brugia malayi MH2 domain containing protein 0.0125 0.4609 0.4606
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.1033 0.1294
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0604 0.0967
Plasmodium vivax topoisomerase I, putative 0.0208 0.7984 1
Brugia malayi jmjC domain containing protein 0.01 0.3592 0.3589
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0204 0.0205
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0156 0.586 1
Schistosoma mansoni DNA topoisomerase type I 0.0156 0.586 0.7336
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1062 0.1316
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0204 0.024
Trypanosoma brucei unspecified product 0.0028 0.0664 0.107
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.1173 0.147
Mycobacterium ulcerans DNA polymerase IV 0.004 0.1173 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0204 0.0244
Leishmania major DNA polymerase kappa, putative 0.004 0.1173 0.1945
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.11 0.1378
Schistosoma mansoni DNA polymerase eta 0.0067 0.2257 0.2815
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0037
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.4609 0.4606
Echinococcus granulosus dna polymerase eta 0.0067 0.2257 0.2827
Schistosoma mansoni hypothetical protein 0.0038 0.1062 0.1316
Onchocerca volvulus 0.0242 0.9349 1
Leishmania major DNA topoisomerase type IB small subunit 0.0052 0.1656 0.2774
Brugia malayi ImpB/MucB/SamB family protein 0.0067 0.2257 0.2253
Echinococcus granulosus jumonji domain containing protein 0.0042 0.1257 0.1575
Brugia malayi Pre-SET motif family protein 0.0212 0.816 0.8159
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.11 0.1096
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1173 0.1945
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0792 0.0992
Brugia malayi Bromodomain containing protein 0.0031 0.0772 0.0767
Trypanosoma brucei unspecified product 0.0028 0.0664 0.107
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0772 0.0967
Schistosoma mansoni DNA topoisomerase type I 0.0208 0.7984 1
Schistosoma mansoni hypothetical protein 0.0177 0.6738 0.8437
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0204 0.0256
Trichomonas vaginalis set domain proteins, putative 0.0242 0.9349 1
Toxoplasma gondii DNA topoisomerase I, putative 0.0208 0.7984 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.1173 0.1945
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0204 0.0244
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.816 0.8159
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0204 0.0256
Brugia malayi Pre-SET motif family protein 0.0031 0.0792 0.0787

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.