Detailed information for compound 872126

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.516 | Formula: C19H29N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)C1CCCN(C1)S(=O)(=O)N1CCC(CC1)C
  • InChi: 1S/C19H29N3O4S/c1-15-9-12-21(13-10-15)27(24,25)22-11-3-4-16(14-22)19(23)20-17-5-7-18(26-2)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,23)
  • InChiKey: XXFUSQPEGBDIGP-UHFFFAOYSA-N  

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
Chlamydia trachomatis protoporphyrinogen oxidase 0.0042 0.5 0.5
Onchocerca volvulus 0.0042 0.5 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0042 0.5 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0042 0.5 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.5 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0042 0.5 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0042 0.5 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0042 0.5 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0042 0.5 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0042 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0042 0.5 0.5
Mycobacterium ulcerans dehydrogenase 0.0042 0.5 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0042 0.5 0.5
Mycobacterium ulcerans monoamine oxidase 0.0042 0.5 0.5
Brugia malayi hypothetical protein 0.0042 0.5 0.5
Echinococcus multilocularis 0.0042 0.5 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.5 0.5
Schistosoma mansoni amine oxidase 0.0042 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Leishmania major UDP-galactopyranose mutase 0.0042 0.5 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.5 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0042 0.5 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0042 0.5 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0042 0.5 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.5 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0042 0.5 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0042 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0042 0.5 0.5
Schistosoma mansoni amine oxidase 0.0042 0.5 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0042 0.5 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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