Detailed information for compound 1871593

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.612 | Formula: C28H37N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H](N1C[C@@H](C)[C@@H](CN(Cc2ccccc2)C)Oc2c(C1=O)cc(cn2)C1=CCCCC1)C
  • InChi: 1S/C28H37N3O3/c1-20-16-31(21(2)19-32)28(33)25-14-24(23-12-8-5-9-13-23)15-29-27(25)34-26(20)18-30(3)17-22-10-6-4-7-11-22/h4,6-7,10-12,14-15,20-21,26,32H,5,8-9,13,16-19H2,1-3H3/t20-,21-,26-/m1/s1
  • InChiKey: KHGWYQNTVNQZQS-IPVFLDMMSA-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
Brugia malayi hypothetical protein 0.0268 0.128 0.2175
Echinococcus granulosus lysine specific histone demethylase 1A 0.0917 0.5443 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0268 0.128 0.2352
Loa Loa (eye worm) hypothetical protein 0.0268 0.128 0.2175
Schistosoma mansoni hypothetical protein 0.0188 0.0764 0.1404
Loa Loa (eye worm) hypothetical protein 0.0268 0.128 0.2175
Echinococcus multilocularis protoporphyrinogen oxidase 0.0268 0.128 0.2352
Trichomonas vaginalis conserved hypothetical protein 0.0069 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1626 1 1
Plasmodium vivax hypothetical protein, conserved 0.0268 0.128 0.5
Loa Loa (eye worm) hypothetical protein 0.0985 0.5885 1
Loa Loa (eye worm) hypothetical protein 0.0609 0.3466 0.5889
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0268 0.128 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1358 0.8278 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0268 0.128 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0268 0.128 0.5
Entamoeba histolytica SWIRM domain protein 0.0069 0 0.5
Brugia malayi Uncharacterized hematopoietic stem/progenitor cells protein MDS029 0.0075 0.0042 0.0071
Leishmania major UDP-galactopyranose mutase 0.0268 0.128 0.5
Loa Loa (eye worm) hypothetical protein 0.0626 0.358 0.6083
Trypanosoma cruzi UDP-galactopyranose mutase 0.0268 0.128 0.5
Schistosoma mansoni amine oxidase 0.0268 0.128 0.2352
Entamoeba histolytica hypothetical protein 0.0069 0 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0268 0.128 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0268 0.128 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0069 0 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0337 0.1722 0.2926
Onchocerca volvulus 0.0985 0.5885 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0917 0.5443 1
Echinococcus granulosus cdgsh iron sulfur domain containing protein 0.0177 0.0695 0.1278
Plasmodium falciparum protoporphyrinogen oxidase 0.0268 0.128 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0917 0.5443 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0268 0.128 0.5
Echinococcus multilocularis 0.0268 0.128 0.2352
Onchocerca volvulus CoRest homolog 0.0626 0.358 0.6056
Brugia malayi Myb-like DNA-binding domain containing protein 0.0609 0.3466 0.5889
Brugia malayi SWIRM domain containing protein 0.0985 0.5885 1
Giardia lamblia hypothetical protein 0.0069 0 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0268 0.128 1
Loa Loa (eye worm) hypothetical protein 0.0337 0.1722 0.2926
Echinococcus granulosus lysine specific histone demethylase 1A 0.0268 0.128 0.2352
Loa Loa (eye worm) hypothetical protein 0.0917 0.5443 0.9249
Echinococcus multilocularis cdgsh iron sulfur domain containing protein 0.0177 0.0695 0.1278
Plasmodium vivax hypothetical protein, conserved 0.0268 0.128 0.5
Schistosoma mansoni CDGSH-type Zn finger-containing protein-like protein 0.0188 0.0764 0.1404
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0268 0.128 0.5
Loa Loa (eye worm) hypothetical protein 0.0917 0.5443 0.9249
Schistosoma mansoni amine oxidase 0.0268 0.128 0.2352
Entamoeba histolytica SWIRM domain protein 0.0069 0 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0268 0.128 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0042 0.0071

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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