Detailed information for compound 1596388

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.547 | Formula: C25H33N3O5
  • H donors: 1 H acceptors: 4 LogP: 1.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@]1(C)N[C@@H]([C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)CN(C(=O)C1CCCCC1)C
  • InChi: 1S/C25H33N3O5/c1-25(24(32)33-3)20-19(22(30)28(23(20)31)14-16-10-6-4-7-11-16)18(26-25)15-27(2)21(29)17-12-8-5-9-13-17/h4,6-7,10-11,17-20,26H,5,8-9,12-15H2,1-3H3/t18-,19+,20-,25-/m1/s1
  • InChiKey: XXFXNTXMJUHDFV-XZWCOCNFSA-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
Toxoplasma gondii aspartyl protease ASP1 0.0441 0 0.5
Brugia malayi Pepsin A precursor 0.0441 0 0.5
Plasmodium vivax aspartyl protease, putative 0.0441 0 0.5
Toxoplasma gondii aspartyl protease 0.0441 0 0.5
Plasmodium vivax aspartyl protease, putative 0.0441 0 0.5
Plasmodium falciparum plasmepsin III 0.0441 0 0.5
Plasmodium falciparum plasmepsin VIII, putative 0.0441 0 0.5
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0441 0 0.5
Plasmodium falciparum plasmepsin VII 0.0441 0 0.5
Trypanosoma brucei squalene synthase, putative 0.3395 0.2802 0.5
Brugia malayi hypothetical protein 0.0441 0 0.5
Echinococcus multilocularis Squalene phytoene synthase 0.1058 0.0585 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0441 0 0.5
Plasmodium falciparum plasmepsin IV 0.0441 0 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0441 0 0.5
Brugia malayi aspartic protease BmAsp-1, identical 0.0441 0 0.5
Plasmodium vivax plasmepsin IV, putative 0.0441 0 0.5
Plasmodium vivax aspartyl protease, putative 0.0441 0 0.5
Plasmodium falciparum plasmepsin V 0.0441 0 0.5
Echinococcus granulosus Squalene phytoene synthase 0.1058 0.0585 1
Schistosoma mansoni hypothetical protein 0.1058 0.0585 0.0585
Mycobacterium ulcerans phytoene synthase, CrtB 0.1058 0.0585 0.5
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.1058 0.0585 1
Plasmodium vivax aspartyl proteinase, putative 0.0441 0 0.5
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.1058 0.0585 0.5
Brugia malayi hypothetical protein 0.0441 0 0.5
Brugia malayi Eukaryotic aspartyl protease family protein 0.0441 0 0.5
Plasmodium falciparum plasmepsin IX 0.0441 0 0.5
Plasmodium falciparum plasmepsin I 0.0441 0 0.5
Brugia malayi aspartic protease BmAsp-2, identical 0.0441 0 0.5
Leishmania major squalene synthase, putative 0.3395 0.2802 1
Plasmodium vivax plasmepsin V, putative 0.0441 0 0.5
Plasmodium falciparum plasmepsin VI 0.0441 0 0.5
Toxoplasma gondii aspartyl protease ASP3 0.0441 0 0.5
Trypanosoma cruzi squalene synthase, putative 0.3395 0.2802 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0441 0 0.5
Plasmodium falciparum plasmepsin X 0.0441 0 0.5
Plasmodium falciparum plasmepsin II 0.0441 0 0.5
Trypanosoma cruzi squalene synthase, putative 0.3395 0.2802 1
Loa Loa (eye worm) hypothetical protein 0.1058 0.0585 1

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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