Detailed information for compound 1666511

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 578.492 | Formula: C25H18F4N4O6S
  • H donors: 2 H acceptors: 6 LogP: 4.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1Cn1c(C(=O)NS(=O)(=O)C2CC2)c(c2c1ccc(c2)C(F)(F)F)c1ccc[nH]c1=O)[N+](=O)[O-]
  • InChi: 1S/C25H18F4N4O6S/c26-19-7-4-15(33(36)37)10-13(19)12-32-20-8-3-14(25(27,28)29)11-18(20)21(17-2-1-9-30-23(17)34)22(32)24(35)31-40(38,39)16-5-6-16/h1-4,7-11,16H,5-6,12H2,(H,30,34)(H,31,35)
  • InChiKey: PMWKZNQZCPJCDA-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
Schistosoma mansoni ap endonuclease 0.0019 0.2628 0.2628
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.2628 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0891 0.1916
Trichomonas vaginalis helicase, putative 0.0006 0.0474 0.1806
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.2097 0.4509
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0474 0.1806
Onchocerca volvulus 0.0028 0.4363 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.2628 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0584 0.1257
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0474 0.1806
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0474 0.1806
Brugia malayi CXXC zinc finger family protein 0.0028 0.4363 0.5411
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0474 0.1806
Echinococcus multilocularis GPCR, family 2 0.0016 0.2097 0.4509
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0056 0.0056
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.2628 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.2097 0.4509
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0891 0.1916
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0871 0.108
Loa Loa (eye worm) hypothetical protein 0.0034 0.5301 0.6575
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0474 0.1806
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.8861 1
Schistosoma mansoni cpg binding protein 0.0028 0.4363 0.4363
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0584 0.0584
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Brugia malayi Latrophilin receptor protein 2 0.0016 0.2097 0.2601
Schistosoma mansoni hypothetical protein 0.0034 0.5301 0.5301
Toxoplasma gondii exonuclease III APE 0.0019 0.2628 0.2966
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0474 0.1806
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.2628 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.2628 0.5651
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0584 0.1257
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.2628 0.3259
Schistosoma mansoni hypothetical protein 0.0016 0.2097 0.2097
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.2097 0.2601
Echinococcus granulosus cpg binding protein 0.003 0.465 1
Echinococcus granulosus GPCR family 2 0.0016 0.2097 0.4509
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.4363 0.5411
Schistosoma mansoni hypothetical protein 0.0016 0.2097 0.2097
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.2097 0.4509
Echinococcus multilocularis cpg binding protein 0.003 0.465 1
Schistosoma mansoni ap endonuclease 0.0019 0.2628 0.2628
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2628 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.2628 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.8063 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.2628 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.5301 0.6575
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.2097 0.2601
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0474 0.1806
Schistosoma mansoni cpg binding protein 0.003 0.465 0.465
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0584 0.1257
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.2628 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.2628 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.2628 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.8063 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.2628 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2628 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0474 0.1806
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0891 0.1105
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.2097 0.4509
Schistosoma mansoni hypothetical protein 0.0016 0.2097 0.2097
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.2628 0.5651
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.2628 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.2097 0.2097
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.2628 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0584 0.1257
Loa Loa (eye worm) hypothetical protein 0.0016 0.2097 0.2601
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.8063 1
Schistosoma mansoni cpg binding protein 0.003 0.465 0.465
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.8063 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.2628 0.3259
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0474 0.1806

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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