Detailed information for compound 1528294

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.613 | Formula: C31H35NO6
  • H donors: 2 H acceptors: 5 LogP: 3.84 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(=O)O.O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCN1CCCCCC1
  • InChi: 1S/C29H33NO2.C2H2O4/c31-28(32-23-22-30-20-12-1-2-13-21-30)24-29(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27;3-1(4)2(5)6/h3-11,14-19H,1-2,12-13,20-24H2;(H,3,4)(H,5,6)
  • InChiKey: OLOISSQXARPZEX-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
Brugia malayi SWIRM domain containing protein 0.0357 0.1267 1
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Trypanosoma brucei short-chain dehydrogenase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Mycobacterium ulcerans dehydrogenase 0.0357 0.1267 0.1252
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.002 0.0017 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.002 0.0017 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0357 0.1267 0.1443
Entamoeba histolytica hypothetical protein 0.002 0.0017 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Brugia malayi intermediate filament protein 0.0028 0.0049 0.0386
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Echinococcus multilocularis lamin 0.0028 0.0049 0.0032
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.002 0.0017 0.5
Onchocerca volvulus 0.0028 0.0049 0.0255
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0049 0.0386
Loa Loa (eye worm) hypothetical protein 0.0028 0.0047 0.0371
Echinococcus granulosus protoporphyrinogen oxidase 0.2354 0.8677 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Entamoeba histolytica short chain dehydrogenase family protein 0.002 0.0017 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.002 0.0017 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.002 0.0017 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.2711 1 1
Echinococcus multilocularis musashi 0.0028 0.0049 0.0032
Schistosoma mansoni amine oxidase 0.0357 0.1267 0.1252
Brugia malayi hypothetical protein 0.0357 0.1267 1
Loa Loa (eye worm) dehydrogenase 0.002 0.0017 0.0135
Loa Loa (eye worm) hypothetical protein 0.0357 0.1267 1
Leishmania major UDP-galactopyranose mutase 0.0357 0.1267 1
Echinococcus granulosus lamin 0.0028 0.0049 0.0037
Echinococcus multilocularis lamin dm0 0.0028 0.0049 0.0032
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0181 0.0164
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0357 0.1267 0.1443
Schistosoma mansoni lamin 0.0028 0.0049 0.0032
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0357 0.1267 0.1252
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0181 0.1309
Loa Loa (eye worm) hypothetical protein 0.0357 0.1267 1
Mycobacterium ulcerans monoamine oxidase 0.0357 0.1267 0.1252
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Plasmodium vivax hypothetical protein, conserved 0.0357 0.1267 1
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0357 0.1267 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0181 0.0164
Loa Loa (eye worm) dehydrogenase 0.002 0.0017 0.0135
Brugia malayi hypothetical protein 0.002 0.0017 0.0135
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.002 0.0017 0.5
Giardia lamblia Hypothetical protein 0.002 0.0017 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0357 0.1267 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0181 0.1309
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.002 0.0017 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0357 0.1267 1
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.002 0.0017 0.0135
Entamoeba histolytica hypothetical protein, conserved 0.002 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0357 0.1267 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0049 0.0037
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.2711 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.1436 0.5271 0.6067
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.2711 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.002 0.0017 0.0135
Echinococcus multilocularis 0.0357 0.1267 0.1252
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.002 0.0017 0.0135
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0049 0.0386
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0357 0.1267 0.1252
Echinococcus multilocularis protoporphyrinogen oxidase 0.2711 1 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0357 0.1267 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0357 0.1267 1
Brugia malayi dehydrogenases, short chain protein 2 0.002 0.0017 0.0135
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.2354 0.8677 1
Onchocerca volvulus 0.0357 0.1267 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0181 0.0164
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.002 0.0017 0.5
Echinococcus granulosus lamin dm0 0.0028 0.0049 0.0037
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Loa Loa (eye worm) hypothetical protein 0.0028 0.0049 0.0386
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Schistosoma mansoni amine oxidase 0.0357 0.1267 0.1252
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.002 0.0017 0.0135
Onchocerca volvulus 0.0028 0.0049 0.0255
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Plasmodium falciparum protoporphyrinogen oxidase 0.0357 0.1267 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.002 0.0017 0.5
Giardia lamblia Reductase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0357 0.1267 1
Trypanosoma brucei oxidoreductase-like protein 0.002 0.0017 0.5
Plasmodium vivax hypothetical protein, conserved 0.0357 0.1267 1
Brugia malayi Dehydrogenases, short chain protein 2 0.002 0.0017 0.0135
Mycobacterium ulcerans oxidoreductase 0.0357 0.1267 0.1252
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.002 0.0017 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0357 0.1267 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.002 0.0017 0.5
Brugia malayi oxidoreductase 0.002 0.0017 0.0135
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0357 0.1267 1
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.002 0.0017 0.0135
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Echinococcus granulosus lysine specific histone demethylase 1A 0.0357 0.1267 0.1443
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0181 0.0189
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0357 0.1267 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Trypanosoma brucei short-chain dehydrogenase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Brugia malayi Retinol dehydrogenase 12 0.002 0.0017 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.002 0.0017 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0357 0.1267 1
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.002 0.0017 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.002 0.0017 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0357 0.1267 0.1252
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Schistosoma mansoni intermediate filament proteins 0.0028 0.0049 0.0032
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0181 0.0189
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0181 0.0164
Trypanosoma brucei short-chain dehydrogenase, putative 0.002 0.0017 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.1436 0.5271 0.5263
Loa Loa (eye worm) hypothetical protein 0.0357 0.1267 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.002 0.0017 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0181 0.0164
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0181 0.0164
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Brugia malayi dehydrogenases, short chain protein 9 0.002 0.0017 0.0135
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0357 0.1267 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0357 0.1267 0.1252
Entamoeba histolytica hypothetical protein, conserved 0.002 0.0017 0.5
Schistosoma mansoni lamin 0.0028 0.0049 0.0032
Brugia malayi hypothetical protein 0.002 0.0017 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0135
Entamoeba histolytica short chain dehydrogenase family protein 0.002 0.0017 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0049 0.0386
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.002 0.0017 0.0135
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.002 0.0017 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.002 0.0017 0.5
Loa Loa (eye worm) oxidoreductase 0.002 0.0017 0.0135
Mycobacterium tuberculosis Possible oxidoreductase 0.0357 0.1267 0.1443
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.002 0.0017 0.5

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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