Detailed information for compound 758291

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.883 | Formula: C22H24ClNO5
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=C1C(=NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)(C)C)C)O
  • InChi: 1S/C22H24ClNO5/c1-5-27-21(26)18-11(2)24-14-8-22(3,4)9-15(25)20(14)19(18)12-6-16-17(7-13(12)23)29-10-28-16/h6-7,19,26H,5,8-10H2,1-4H3
  • InChiKey: MXQHKCVYGNWTQM-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
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0081 0.0236 0.1616
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0074 0.0242
Trypanosoma brucei endonuclease G, putative 0.031 0.1192 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0074 0.0621
Loa Loa (eye worm) hypothetical protein 0.0153 0.0535 0.1176
Plasmodium falciparum basic transcription factor 3b, putative 0.0068 0.0182 0.7716
Brugia malayi hypothetical protein 0.0081 0.0236 0.0519
Brugia malayi hypothetical protein 0.0081 0.0236 0.0519
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.2016
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.544
Echinococcus granulosus ectonucleotide 0.0435 0.1713 0.4521
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0081 0.0236 0.1616
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.031 0.1192 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.0314 0.0598
Schistosoma mansoni hypothetical protein 0.0081 0.0236 0.0424
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.2016
Schistosoma mansoni alpha-glucosidase 0.0138 0.0472 0.0946
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.0314 0.027
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0081 0.0236 0.1516
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0236 0.0519
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0516 0.2052 0.4456
Loa Loa (eye worm) ICD-1 protein 0.0068 0.0182 0.0401
Echinococcus multilocularis transferase 0.0081 0.0236 0.0192
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0045 0.0381
Schistosoma mansoni transcription factor btf3 0.0068 0.0182 0.0304
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.544
Loa Loa (eye worm) hypothetical protein 0.0081 0.0236 0.0519
Leishmania major ethanolamine phosphotransferase, putative 0.0081 0.0236 0.1982
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0074 0.0621
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.0498 0.1095
Loa Loa (eye worm) hypothetical protein 0.0516 0.2052 0.4511
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.031 0.1192 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.0314 0.0598
Trypanosoma brucei transcription factor BTF3, putative 0.0068 0.0182 0.153
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0081 0.0236 0.1982
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0074 0.0078
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0045 0.0381
Loa Loa (eye worm) hypothetical protein 0.0067 0.0176 0.0386
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0319 0.1227 1
Brugia malayi hypothetical protein 0.0153 0.0535 0.1176
Loa Loa (eye worm) hypothetical protein 0.0081 0.0236 0.0519
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0059 0.0118
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.0481 0.1182
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0081 0.0236 0.0519
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.031 0.1192 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0074 0.0242
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0081 0.0236 0.0192
Echinococcus granulosus neuropeptide receptor A26 0.092 0.3734 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.2016
Brugia malayi AEL166Cp 0.0081 0.0236 0.0519
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0156 0.0547 1
Trypanosoma cruzi endonuclease G, putative 0.031 0.1192 1
Trypanosoma brucei endonuclease G, putative 0.031 0.1192 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.0176 0.1102
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0081 0.0236 0.0517
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0435 0.1713 0.1675
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0059 0.251
Schistosoma mansoni alpha-glucosidase 0.0138 0.0472 0.0946
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0156 0.0547 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0074 0.406
Trypanosoma brucei endonuclease G, putative 0.031 0.1192 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.2016
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0081 0.0236 1
Echinococcus granulosus transferase 0.0081 0.0236 0.0517
Trypanosoma cruzi endonuclease G, putative 0.031 0.1192 1
Echinococcus granulosus transcription factor btf3 0.0068 0.0182 0.0371
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0516 0.2052 0.4456
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Onchocerca volvulus 0.0092 0.0283 0.0109
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.0498 0.0455
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0176 0.0289
Schistosoma mansoni hypothetical protein 0.0081 0.0236 0.0424
Entamoeba histolytica hypothetical protein 0.0068 0.0182 0.1159
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0182 0.1159
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0156 0.0547 0.5
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.0314 0.027
Loa Loa (eye worm) hypothetical protein 0.0435 0.1713 0.3766
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0081 0.0236 0.0192
Schistosoma mansoni hypothetical protein 0.0081 0.0236 0.0424
Onchocerca volvulus 0.0153 0.0535 0.0693
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0081 0.0236 0.0192
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0182 0.1159
Echinococcus multilocularis transcription factor btf3 0.0068 0.0182 0.0138
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.0498 0.1005
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.0564 0.0521
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0435 0.1713 0.4521
Brugia malayi beta-NAC-like protein 0.0068 0.0182 0.0401
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0081 0.0236 0.0192
Brugia malayi Melibiase family protein 0.0067 0.0176 0.0386
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0045 0.0381
Echinococcus multilocularis neuropeptide s receptor 0.092 0.3734 0.3706
Entamoeba histolytica transcription factor BTF3, putative 0.0068 0.0182 0.1159
Leishmania major basic transcription factor 3a, putative 0.0068 0.0182 0.153
Brugia malayi endonuclease G, mitochondrial precursor 0.031 0.1192 0.262
Echinococcus granulosus geminin 0.0185 0.0668 0.1688
Echinococcus multilocularis geminin 0.0185 0.0668 0.0626
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.0564 0.1407
Trypanosoma cruzi transcription factor btf3, putative 0.0068 0.0182 0.153
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Trypanosoma brucei glucosidase, putative 0.0035 0.0045 0.0381
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0516 0.2052 0.4456
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.0564 0.1241
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.544
Schistosoma mansoni endonuclease related 0.031 0.1192 0.2546
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.0564 0.1241
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0176 0.0289
Onchocerca volvulus 0.0516 0.2052 0.4211
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0516 0.2052 0.4511
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0319 0.1227 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.0564 0.0521
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0045 0.0381
Brugia malayi Thrombospondin type 1 domain containing protein 0.1115 0.4549 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.031 0.1192 1
Loa Loa (eye worm) acetyltransferase 0.0144 0.0498 0.1095
Echinococcus granulosus Endonuclease G 0.031 0.1192 0.3108
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0182 0.1159
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0045 0.01
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.0314 0.0598
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.544
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.2016
Onchocerca volvulus 0.0516 0.2052 0.4211
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.2016
Trypanosoma cruzi transcription factor btf3, putative 0.0068 0.0182 0.153
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0081 0.0236 0.0517
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0516 0.2052 0.4456
Leishmania major endonuclease G, putative 0.031 0.1192 1
Schistosoma mansoni hypothetical protein 0.0081 0.0236 0.0424
Toxoplasma gondii NAC domain-containing protein 0.0068 0.0182 0.153
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0081 0.0236 0.0192
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0045 0.01
Schistosoma mansoni hypothetical protein 0.1115 0.4549 1
Schistosoma mansoni hypothetical protein 0.0185 0.0668 0.1383
Echinococcus multilocularis neuropeptide receptor A26 0.092 0.3734 0.3706
Onchocerca volvulus 0.1115 0.4549 1
Loa Loa (eye worm) hypothetical protein 0.0516 0.2052 0.4511
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0081 0.0236 0.0519
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0516 0.2052 0.544
Plasmodium vivax basic transcription factor 3b, putative 0.0068 0.0182 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0081 0.0236 0.0424
Loa Loa (eye worm) hypothetical protein 0.0081 0.0236 0.0519
Schistosoma mansoni hypothetical protein 0.0185 0.0668 0.1383
Toxoplasma gondii melibiase subfamily protein 0.01 0.0314 0.2639
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Echinococcus granulosus neuropeptide s receptor 0.092 0.3734 1
Treponema pallidum fructose-bisphosphate aldolase 0.0319 0.1227 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 0.1227 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1115 0.4549 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0319 0.1227 1
Loa Loa (eye worm) hypothetical protein 0.0516 0.2052 0.4511
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.0314 0.0729
Echinococcus multilocularis ectonucleotide 0.0435 0.1713 0.1675
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.0314 0.0598
Echinococcus multilocularis Endonuclease G 0.031 0.1192 0.1152

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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