Detailed information for compound 1871967

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.495 | Formula: C23H30N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.53 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)NC[C@H]1N([C@H]([C@H]1c1ccc(cc1)C1=CCCC1)CO)C(=O)C1CC1
  • InChi: 1S/C23H30N2O4/c1-29-14-21(27)24-12-19-22(20(13-26)25(19)23(28)18-10-11-18)17-8-6-16(7-9-17)15-4-2-3-5-15/h4,6-9,18-20,22,26H,2-3,5,10-14H2,1H3,(H,24,27)/t19-,20+,22+/m1/s1
  • InChiKey: QFILKHAMRPHMJJ-URVUXULASA-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 Lysine-specific histone demethylase 1 0.0196 0.1738 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0054
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0013 0.003 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0099 0.083 1
Echinococcus granulosus zinc finger protein 541 0.0013 0.0022 0.0127
Trichomonas vaginalis ap endonuclease, putative 0.0013 0.003 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0099 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.1738 0.4258
Echinococcus multilocularis protoporphyrinogen oxidase 0.0099 0.083 0.4775
Treponema pallidum exodeoxyribonuclease (exoA) 0.0013 0.003 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0099 0.083 0.4775
Schistosoma mansoni ap endonuclease 0.0013 0.003 0.0172
Echinococcus granulosus metastasis associated protein MTA1 0.0013 0.0022 0.0127
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0013 0.003 0.0073
Mycobacterium ulcerans dehydrogenase 0.0099 0.083 0.0802
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1077 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0099 0.083 1
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0013 0.0022 0.0127
Plasmodium vivax hypothetical protein, conserved 0.0099 0.083 1
Toxoplasma gondii histone lysine-specific demethylase 0.0099 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0054
Echinococcus multilocularis 0.0099 0.083 0.4775
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0099 0.083 0.0802
Trypanosoma cruzi UDP-galactopyranose mutase 0.0099 0.083 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.0013 0.0022 0.0056
Echinococcus granulosus mesoderm induction early response protein 1 0.0013 0.0022 0.0127
Schistosoma mansoni rest corepressor (corest) protein 0.0013 0.0022 0.0127
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0013 0.0022 0.0127
Brugia malayi MH2 domain containing protein 0.0086 0.0705 0.178
Echinococcus granulosus lysine specific histone demethylase 1A 0.0099 0.083 0.4775
Loa Loa (eye worm) hypothetical protein 0.0099 0.083 0.2033
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0196 0.1738 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0086 0.0705 0.1728
Brugia malayi exodeoxyribonuclease III family protein 0.0013 0.003 0.0075
Echinococcus granulosus lysine specific histone demethylase 1A 0.0196 0.1738 1
Echinococcus multilocularis rest corepressor (corest) protein 0.0013 0.0022 0.0128
Echinococcus multilocularis metastasis associated protein MTA1 0.0013 0.0022 0.0127
Mycobacterium tuberculosis Possible oxidoreductase 0.0099 0.083 0.0885
Echinococcus granulosus SANT DNA binding 0.0013 0.0022 0.0127
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0013 0.0022 0.0127
Toxoplasma gondii exonuclease III APE 0.0013 0.003 0.036
Loa Loa (eye worm) hypothetical protein 0.0433 0.3962 0.9709
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0099 0.083 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0013 0.003 0.0172
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0013 0.003 0.0096
Echinococcus multilocularis mesoderm induction early response protein 1 0.0013 0.0022 0.0127
Loa Loa (eye worm) transcription factor SMAD2 0.0086 0.0705 0.1728
Mycobacterium tuberculosis Conserved hypothetical protein 0.0099 0.083 0.0885
Loa Loa (eye worm) hypothetical protein 0.0206 0.1834 0.4494
Chlamydia trachomatis protoporphyrinogen oxidase 0.0099 0.083 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0013 0.003 0.5
Schistosoma mansoni ap endonuclease 0.0013 0.003 0.0172
Loa Loa (eye worm) hypothetical protein 0.0196 0.1738 0.4258
Mycobacterium ulcerans oxidoreductase 0.0099 0.083 0.0802
Plasmodium vivax hypothetical protein, conserved 0.0099 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0054
Leishmania major UDP-galactopyranose mutase 0.0099 0.083 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0013 0.003 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0099 0.083 1
Loa Loa (eye worm) GATA zinc finger family protein 0.0013 0.0022 0.0054
Brugia malayi ELM2 domain containing protein 0.0013 0.0022 0.0056
Schistosoma mansoni amine oxidase 0.0099 0.083 0.4775
Echinococcus granulosus metastasis associated protein 1 mta1 0.0013 0.0022 0.0127
Schistosoma mansoni rest corepressor (corest) protein 0.0013 0.0022 0.0127
Trichomonas vaginalis ap endonuclease, putative 0.0013 0.003 0.5
Echinococcus granulosus REST corepressor 3 0.0013 0.0022 0.0128
Plasmodium falciparum protoporphyrinogen oxidase 0.0099 0.083 1
Onchocerca volvulus CoRest homolog 0.0446 0.4081 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0099 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.083 0.2033
Schistosoma mansoni zinc finger protein 0.0013 0.0022 0.0128
Brugia malayi Myb-like DNA-binding domain containing protein 0.0433 0.3962 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0099 0.083 0.5
Schistosoma mansoni amine oxidase 0.0099 0.083 0.4775
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0013 0.003 0.0172
Brugia malayi hypothetical protein 0.0099 0.083 0.2094
Brugia malayi ELM2 domain containing protein 0.0013 0.0022 0.0056
Loa Loa (eye worm) hypothetical protein 0.0109 0.0926 0.227
Brugia malayi SWIRM domain containing protein 0.0206 0.1834 0.4629
Mycobacterium ulcerans monoamine oxidase 0.0099 0.083 0.0802
Brugia malayi amine oxidase, flavin-containing family protein 0.0109 0.0926 0.2337
Echinococcus multilocularis zinc finger protein 541 0.0013 0.0022 0.0127
Loa Loa (eye worm) hypothetical protein 0.0446 0.4081 1
Onchocerca volvulus 0.0206 0.1834 0.4464
Echinococcus multilocularis SANT, DNA binding 0.0013 0.0022 0.0127
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0979 0.9074 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0013 0.003 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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