Detailed information for compound 42103

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.587 | Formula: C24H41NO3
  • H donors: 2 H acceptors: 2 LogP: 9.15 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCCNc1ccc(c(c1)OC)C(=O)O
  • InChi: 1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-21-17-18-22(24(26)27)23(20-21)28-2/h17-18,20,25H,3-16,19H2,1-2H3,(H,26,27)
  • InChiKey: VUFNSTRYAYGEAR-UHFFFAOYSA-N  


Substructure search Similarity search

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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
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0173 0.1878 0.1773
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0108 0.1023 0.7211
Trichomonas vaginalis alpha-glucosidase, putative 0.0134 0.1359 0.7323
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0108 0.1023 0.7211
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0061 0.0413 0.0413
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0134 0.1359 0.3018
Echinococcus multilocularis lysosomal alpha glucosidase 0.0794 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0155 0.0027
Schistosoma mansoni lamin 0.0055 0.0337 0.0235
Trichomonas vaginalis alpha-glucosidase, putative 0.0134 0.1359 0.7323
Echinococcus multilocularis mitogen activated protein kinase 0.0108 0.1023 0.0907
Schistosoma mansoni lamin 0.0055 0.0337 0.0235
Schistosoma mansoni hypothetical protein 0.0039 0.0128 0.0009
Loa Loa (eye worm) hypothetical protein 0.0057 0.0354 0.0354
Schistosoma mansoni hypothetical protein 0.0162 0.1729 0.1743
Echinococcus granulosus lamin dm0 0.0055 0.0337 0.0212
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0139 0.0011
Onchocerca volvulus 0.0055 0.0337 0.0291
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0126 0.1258 0.9164
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0173 0.1878 0.1773
Giardia lamblia DNA repair protein RAD52 0.0348 0.4162 1
Schistosoma mansoni polycystin 1-related 0.0039 0.0128 0.0009
Loa Loa (eye worm) hypothetical protein 0.0039 0.0119 0.0119
Schistosoma mansoni ap endonuclease 0.0042 0.0155 0.0038
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.1023 0.5281
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0108 0.1023 0.1023
Echinococcus granulosus Galectin carbohydrate recognition domain 0.012 0.1178 0.1064
Echinococcus multilocularis lamin dm0 0.0055 0.0337 0.0212
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0522 0.3055
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.1023 0.5281
Schistosoma mansoni hypothetical protein 0.0062 0.0424 0.033
Loa Loa (eye worm) hypothetical protein 0.0055 0.0337 0.0337
Trichomonas vaginalis alpha-glucosidase, putative 0.0084 0.071 0.338
Trichomonas vaginalis maltase-glucoamylase, putative 0.0134 0.1359 0.7323
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0293 0.0293
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 0.1023 0.7211
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0314 0.0189
Echinococcus granulosus transcription factor Dp 1 0.004 0.0139 0.0011
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0134 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0096 0.0864 0.0864
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0381 0.4599 0.4529
Onchocerca volvulus Galectin homolog 0.0563 0.6979 0.955
Echinococcus multilocularis lysosomal alpha glucosidase 0.0794 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0293 0.0188
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0337 0.0337
Trichomonas vaginalis alpha-glucosidase, putative 0.0134 0.1359 0.7323
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0293 0.0168
Echinococcus granulosus intermediate filament protein 0.0055 0.0337 0.0212
Schistosoma mansoni hypothetical protein 0.0103 0.0959 0.091
Brugia malayi Galactoside-binding lectin family protein 0.012 0.1178 0.1178
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0167 0.1799 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0293 0.0168
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0348 0.4162 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0112 0.1074 0.0959
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.0155 0.0017
Loa Loa (eye worm) hypothetical protein 0.0054 0.0323 0.0323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0293 0.0188
Onchocerca volvulus 0.0588 0.7302 1
Echinococcus multilocularis glycogen debranching enzyme 0.0126 0.1258 0.1145
Trichomonas vaginalis sucrase-isomaltase, putative 0.0134 0.1359 0.7323
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.0522 0.0437
Trichomonas vaginalis alpha-glucosidase, putative 0.0084 0.071 0.338
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0293 0.0168
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0108 0.1023 0.7211
Schistosoma mansoni hypothetical protein 0.0091 0.0801 0.0738
Brugia malayi Galactoside-binding lectin family protein 0.012 0.1178 0.1178
Schistosoma mansoni rab6-interacting 0.0039 0.0128 0.0009
Mycobacterium ulcerans alpha-L-fucosidase 0.0381 0.4599 1
Schistosoma mansoni alpha glucosidase 0.0134 0.1359 0.1343
Trypanosoma brucei glucosidase, putative 0.0134 0.1359 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.0522 0.3055
Brugia malayi hypothetical protein 0.0039 0.0128 0.0128
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0148 0.0031
Loa Loa (eye worm) galactoside-binding lectin family protein 0.012 0.1178 0.1178
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 0.1023 0.7211
Brugia malayi Doublecortin family protein 0.0039 0.0128 0.0128
Brugia malayi Glycosyl hydrolases family 31 protein 0.0084 0.071 0.071
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0108 0.1023 0.7211
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0167 0.1799 1
Brugia malayi Galactoside-binding lectin family protein 0.012 0.1178 0.1178
Trichomonas vaginalis alpha-glucosidase, putative 0.0134 0.1359 0.7323
Schistosoma mansoni beta-galactosidase 0.0096 0.0864 0.0807
Trypanosoma brucei protein kinase, putative 0.0108 0.1023 0.7211
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0134 0.1359 0.3018
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0112 0.1074 0.1074
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0134 0.1359 1
Loa Loa (eye worm) doublecortin family protein 0.0039 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0112 0.1074 0.1074
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.0155 0.5
Loa Loa (eye worm) galactoside-binding lectin family protein 0.012 0.1178 0.1178
Loa Loa (eye worm) hypothetical protein 0.0126 0.1258 0.1258
Loa Loa (eye worm) alpha-L-fucosidase 0.0381 0.4599 0.4599
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.1023 0.0979
Brugia malayi galectin 0.012 0.1178 0.1178
Echinococcus granulosus lamin 0.0055 0.0337 0.0212
Loa Loa (eye worm) galactoside-binding lectin family protein 0.012 0.1178 0.1178
Schistosoma mansoni alpha-glucosidase 0.0745 0.9351 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0084 0.071 0.1402
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0148 0.002
Echinococcus multilocularis Galectin, carbohydrate recognition domain 0.012 0.1178 0.1064
Loa Loa (eye worm) hypothetical protein 0.0039 0.0128 0.0128
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0148 0.002
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.1359 1
Schistosoma mansoni intermediate filament proteins 0.0055 0.0337 0.0235
Schistosoma mansoni alpha-l-fucosidase 0.0381 0.4599 0.4852
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0293 0.0293
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0337 0.0337
Trypanosoma brucei glycosyl hydrolase-like protein 0.0084 0.071 0.4616
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.0155 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.0155 0.5
Loa Loa (eye worm) galectin 0.0414 0.5031 0.5031
Loa Loa (eye worm) galectin 0.012 0.1178 0.1178
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0126 0.1258 0.2755
Brugia malayi intermediate filament protein 0.0055 0.0337 0.0337
Echinococcus multilocularis neutral alpha glucosidase AB 0.0134 0.1359 0.1247
Trichomonas vaginalis alpha-glucosidase, putative 0.0134 0.1359 0.7323
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0155 1
Echinococcus multilocularis beta galactosidase 0.0096 0.0864 0.0746
Brugia malayi galectin 0.0414 0.5031 0.5031
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0084 0.071 0.338
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0337 0.0337
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0108 0.1023 0.7211
Schistosoma mansoni hypothetical protein 0.0179 0.195 0.1983
Brugia malayi Galactoside-binding lectin family protein 0.0563 0.6979 0.6979
Loa Loa (eye worm) hypothetical protein 0.012 0.1178 0.1178
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0155 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.0522 0.04
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0134 0.1359 0.7323
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0314 0.0189
Loa Loa (eye worm) hypothetical protein 0.012 0.1178 0.1178
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0155 0.0155
Leishmania major glycosyl hydrolase-like protein 0.0084 0.071 0.4616
Echinococcus multilocularis geminin 0.0179 0.195 0.1846
Loa Loa (eye worm) hypothetical protein 0.0039 0.0128 0.0128
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0381 0.4599 0.4529
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0099 0.0906 0.189
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.0522 0.0522
Schistosoma mansoni ap endonuclease 0.0042 0.0155 0.0038
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.0563 0.6979 0.6979
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0155 0.0155
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0522 0.3055
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.1023 0.5281
Loa Loa (eye worm) MBCTL1 0.0054 0.0314 0.0314
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0293 0.0168
Entamoeba histolytica hypothetical protein 0.0099 0.0906 0.189
Schistosoma mansoni galectin 0.012 0.1178 0.1147
Trichomonas vaginalis alpha-glucosidase, putative 0.0084 0.071 0.338
Echinococcus multilocularis mitogen activated protein kinase 3 0.0108 0.1023 0.0907
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0794 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0108 0.1023 0.7211
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.1359 1
Schistosoma mansoni alpha-glucosidase 0.0745 0.9351 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0134 0.1359 0.7323
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0084 0.071 0.4616
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0119 0.0119
Schistosoma mansoni lipoxygenase 0.0102 0.0949 0.0898
Schistosoma mansoni hypothetical protein 0.0041 0.0148 0.0031
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.1023 0.5281
Brugia malayi hypothetical protein 0.0041 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0179 0.195 0.1983
Brugia malayi MAP kinase sur-1 0.0108 0.1023 0.1023
Echinococcus multilocularis musashi 0.0055 0.0337 0.0212
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0354 0.0354
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0126 0.1258 0.6711
Echinococcus granulosus lysosomal alpha glucosidase 0.0794 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0293 0.0188
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0084 0.071 0.0812
Onchocerca volvulus Galectin homolog 0.012 0.1178 0.1464
Trichomonas vaginalis alpha-glucosidase, putative 0.0084 0.071 0.338
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0457 0.1837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0354 0.0354
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0314 0.0211
Trichomonas vaginalis maltase-glucoamylase, putative 0.0084 0.071 0.338
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.0522 0.04
Entamoeba histolytica glycogen debranching enzyme, putative 0.0126 0.1258 0.2767
Onchocerca volvulus 0.0055 0.0337 0.0291
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0084 0.071 0.4616
Trichomonas vaginalis alpha-glucosidase, putative 0.0084 0.071 0.338
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0126 0.1258 0.6711
Loa Loa (eye worm) hypothetical protein 0.0084 0.071 0.071
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.0522 0.0934
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0126 0.1258 0.1258
Echinococcus multilocularis lamin 0.0055 0.0337 0.0212
Brugia malayi hypothetical protein 0.0039 0.0128 0.0128
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0522 0.3055
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0354 0.0354
Brugia malayi Alpha-L-fucosidase family protein 0.0381 0.4599 0.4599
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0112 0.1074 0.0959
Brugia malayi Glycosyl hydrolases family 31 protein 0.0134 0.1359 0.1359
Giardia lamblia Kinase, CMGC MAPK 0.0108 0.1023 0.2168
Schistosoma mansoni loxhd1 0.0039 0.0128 0.0009
Echinococcus granulosus beta galactosidase 0.0096 0.0864 0.0746
Leishmania major alpha glucosidase II subunit, putative 0.0134 0.1359 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0084 0.071 0.338
Schistosoma mansoni lipoxygenase 0.0173 0.1878 0.1905
Echinococcus granulosus geminin 0.0179 0.195 0.1846
Echinococcus granulosus glycogen debranching enzyme 0.0126 0.1258 0.1145
Echinococcus granulosus mitogen activated protein kinase 0.0108 0.1023 0.0907
Schistosoma mansoni rab6-interacting 0.0039 0.0128 0.0009
Echinococcus granulosus neutral alpha glucosidase AB 0.0134 0.1359 0.1247
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0155 0.0027
Loa Loa (eye worm) hypothetical protein 0.0289 0.3391 0.3391
Echinococcus granulosus mitogen activated protein kinase 3 0.0108 0.1023 0.0907

Activities

Activity type Activity value Assay description Source Reference
Diet (functional) < 66 % In vivo triglyceride lowering activity when dosed at 0.03 % of the diet ChEMBL. 6604817
Diet (functional) = 75 % In vivo triglyceride lowering activity when dosed as 0.01 % of the diet ChEMBL. 6604817
Diet (functional) = 77 % In vivo triglyceride lowering activity dosed at 0.10 % of the diet. ChEMBL. 6604817
Diet (functional) = 98 % In vivo sterol lowering activity at dose of 0.10 % of the diet ChEMBL. 6604817
Diet (functional) = 104 % In vivo sterol lowering activity when dosed as 0.01 % of the diet ChEMBL. 6604817
Diet (functional) = 105 % In vivo sterol lowering activity when dosed as 0.03 % of the diet ChEMBL. 6604817

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

1 literature reference was collected for this gene.

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