Detailed information for compound 923765

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.434 | Formula: C26H19NO3
  • H donors: 1 H acceptors: 2 LogP: 5.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cn1c(cc(c1c1ccco1)c1ccccc1)c1cccc2c1cccc2
  • InChi: 1S/C26H19NO3/c28-25(29)17-27-23(21-13-6-11-18-10-4-5-12-20(18)21)16-22(19-8-2-1-3-9-19)26(27)24-14-7-15-30-24/h1-16H,17H2,(H,28,29)
  • InChiKey: AJEUYOFOXBBURO-UHFFFAOYSA-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
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0078 0.0234 0.0665
Onchocerca volvulus 0.0156 0.0711 0.0782
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.0667 0.0897
Brugia malayi Melibiase family protein 0.0068 0.0171 0.0161
Toxoplasma gondii melibiase subfamily protein 0.0102 0.0379 0.2283
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0178 0.0716
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0171 0.0426
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.012 0.0178
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0078 0.0234 0.0665
Leishmania major basic transcription factor 3a, putative 0.0069 0.0178 0.0716
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0299 0.159 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0379 0.0435
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.2725
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0078 0.0234 0.0127
Giardia lamblia Fructose-bisphosphate aldolase 0.0611 0.3513 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.007 0.2992
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0611 0.3513 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.012 0.0018
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.2725
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.5102
Echinococcus multilocularis geminin 0.0188 0.0912 0.0813
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0078 0.0234 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0299 0.159 1
Mycobacterium ulcerans hypothetical protein 0.0078 0.0234 0.0774
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0298 0.1586 1
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0078 0.0234 0.0261
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.0379 0.0655
Schistosoma mansoni endonuclease related 0.0298 0.1586 0.2372
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0078 0.0234 0.0127
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0418 0.2324 0.224
Entamoeba histolytica hypothetical protein 0.0069 0.0178 0.0508
Brugia malayi beta-NAC-like protein 0.0069 0.0178 0.0173
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0496 0.2804 0.4327
Brugia malayi AEL166Cp 0.0078 0.0234 0.0261
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Entamoeba histolytica transcription factor BTF3, putative 0.0069 0.0178 0.0508
Trypanosoma brucei endonuclease G, putative 0.0298 0.1586 1
Loa Loa (eye worm) hypothetical protein 0.0496 0.2804 0.4362
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Schistosoma mansoni hypothetical protein 0.0078 0.0234 0.0201
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0171 0.0101
Echinococcus granulosus neuropeptide s receptor 0.093 0.5475 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.1071 0.6339 1
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0078 0.0234 0.0387
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0611 0.3513 1
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0298 0.1586 1
Loa Loa (eye worm) hypothetical protein 0.0496 0.2804 0.4362
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.5102
Trypanosoma brucei endonuclease G, putative 0.0298 0.1586 1
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0108 0.0157
Echinococcus multilocularis transcription factor btf3 0.0069 0.0178 0.0071
Echinococcus granulosus neuropeptide receptor A26 0.093 0.5475 1
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.007 0.0304
Loa Loa (eye worm) hypothetical protein 0.0068 0.0171 0.0161
Trypanosoma brucei endonuclease G, putative 0.0298 0.1586 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0234 0.0261
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.2725
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.007 0.3043
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.0379 0.0274
Leishmania major ethanolamine phosphotransferase, putative 0.0078 0.0234 0.1079
Echinococcus multilocularis neuropeptide s receptor 0.093 0.5475 0.5425
Echinococcus multilocularis Endonuclease G 0.0298 0.1586 0.1494
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.012 0.0018
Echinococcus granulosus ectonucleotide 0.0418 0.2324 0.4222
Treponema pallidum fructose-bisphosphate aldolase 0.0611 0.3513 0.5
Echinococcus granulosus transferase 0.0078 0.0234 0.0387
Schistosoma mansoni hypothetical protein 0.0188 0.0912 0.1291
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0078 0.0234 0.0665
Loa Loa (eye worm) acetyltransferase 0.0149 0.0667 0.0953
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.012 0.0328
Echinococcus granulosus Endonuclease G 0.0298 0.1586 0.2868
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.0667 0.0953
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0299 0.159 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0379 0.0435
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.0667 0.0565
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0078 0.0234 0.0127
Loa Loa (eye worm) hypothetical protein 0.0418 0.2324 0.3596
Loa Loa (eye worm) hypothetical protein 0.0078 0.0234 0.0261
Plasmodium falciparum basic transcription factor 3b, putative 0.0069 0.0178 0.7641
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0078 0.0234 0.0387
Echinococcus granulosus histone acetyltransferase KAT2B 0.0144 0.0642 0.1136
Echinococcus granulosus geminin 0.0188 0.0912 0.1632
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0078 0.0234 0.0261
Trypanosoma cruzi endonuclease G, putative 0.0298 0.1586 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.2725
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.5102
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0178 0.0447
Loa Loa (eye worm) hypothetical protein 0.0156 0.0711 0.1022
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0496 0.2804 0.4327
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0496 0.2804 0.4362
Loa Loa (eye worm) ICD-1 protein 0.0069 0.0178 0.0173
Schistosoma mansoni transcription factor btf3 0.0069 0.0178 0.0113
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0379 0.0435
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.5102
Echinococcus multilocularis transferase 0.0078 0.0234 0.0127
Brugia malayi hypothetical protein 0.0156 0.0711 0.1022
Schistosoma mansoni hypothetical protein 0.0188 0.0912 0.1291
Onchocerca volvulus 0.0496 0.2804 0.4211
Schistosoma mansoni hypothetical protein 0.0078 0.0234 0.0201
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.2725
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0234 0.0261
Trypanosoma cruzi endonuclease G, putative 0.0298 0.1586 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0171 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0178 0.0447
Brugia malayi endonuclease G, mitochondrial precursor 0.0298 0.1586 0.2419
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.2725
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0078 0.0234 0.0201
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0298 0.1586 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Trypanosoma brucei transcription factor BTF3, putative 0.0069 0.0178 0.0716
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0078 0.0234 0.0127
Echinococcus multilocularis neuropeptide receptor A26 0.093 0.5475 0.5425
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.012 0.0622
Onchocerca volvulus 0.1071 0.6339 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.012 0.0012
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.007 0.2992
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0078 0.0234 0.1079
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0178 0.0716
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0496 0.2804 0.4327
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0108 0.0061
Loa Loa (eye worm) hypothetical protein 0.0078 0.0234 0.0261
Echinococcus multilocularis ectonucleotide 0.0418 0.2324 0.224
Echinococcus granulosus transcription factor btf3 0.0069 0.0178 0.0286
Onchocerca volvulus 0.0496 0.2804 0.4211
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0178 0.0447
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1071 0.6339 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0496 0.2804 0.4327
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.0379 0.0274
Schistosoma mansoni hypothetical protein 0.1071 0.6339 1
Brugia malayi hypothetical protein 0.0078 0.0234 0.0261
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0108 0.0157
Brugia malayi hypothetical protein 0.0078 0.0234 0.0261
Schistosoma mansoni hypothetical protein 0.0078 0.0234 0.0201
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0298 0.1586 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0379 0.0435
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0496 0.2804 0.5102
Loa Loa (eye worm) hypothetical protein 0.0496 0.2804 0.4362
Plasmodium vivax basic transcription factor 3b, putative 0.0069 0.0178 1
Leishmania major endonuclease G, putative 0.0298 0.1586 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0418 0.2324 0.4222
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0078 0.0234 0.0127
Toxoplasma gondii NAC domain-containing protein 0.0069 0.0178 0.0998
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0611 0.3513 1
Brugia malayi jmjC domain containing protein 0.0058 0.0108 0.0061
Schistosoma mansoni hypothetical protein 0.0078 0.0234 0.0201
Brugia malayi jmjC domain containing protein 0.0058 0.0108 0.0061

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 79.49 % Cytotoxicity against HEK293T cells at 50 uM after 72 hrs by MTT assay ChEMBL. 25016370
MIC (functional) = 31.81 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 after 28 days by agar dilution method ChEMBL. 25016370

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.