Detailed information for compound 1144463

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 274.315 | Formula: C15H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 0.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)N1C(=O)CC2(C1=O)CCCNC2
  • InChi: 1S/C15H18N2O3/c1-20-12-5-2-4-11(8-12)17-13(18)9-15(14(17)19)6-3-7-16-10-15/h2,4-5,8,16H,3,6-7,9-10H2,1H3
  • InChiKey: DDQJYYZSGPDURU-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 Calcitonin receptor-like protein seb-1 0.0052 0.0225 0.0913
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0559 0.5
Echinococcus granulosus lamin b receptor 0.005 0.0203 0.0003
Loa Loa (eye worm) hypothetical protein 0.01 0.088 0.1417
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.019 0.2103 1
Leishmania major hypothetical protein, conserved 0.0147 0.1514 0.69
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.019 0.2103 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0199 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0199 0.5
Schistosoma mansoni cellular tumor antigen P53 0.01 0.088 0.088
Entamoeba histolytica steroid 5-alpha reductase, putative 0.019 0.2103 1
Onchocerca volvulus 0.0246 0.2867 1
Trypanosoma brucei Emopamil binding protein, putative 0.0147 0.1514 0.69
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.019 0.2103 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0559 0.0367
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0147 0.1514 0.69
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.019 0.2103 0.8548
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0147 0.1514 0.69
Loa Loa (eye worm) hypothetical protein 0.0052 0.0225 0.0362
Brugia malayi hypothetical protein 0.0152 0.1591 0.6467
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0559 1
Onchocerca volvulus 0.0147 0.1514 0.319
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0559 0.0367
Schistosoma mansoni Lamin B receptor (ERG24) 0.005 0.0203 0.0203
Brugia malayi Probable ClpP-like protease 0.0077 0.0559 0.2274
Echinococcus multilocularis tumor protein p63 0.0684 0.8842 0.8819
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0559 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0152 0.1591 0.1591
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0559 0.5
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0147 0.1514 0.69
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0152 0.1591 0.142
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0559 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0769 1 1
Trypanosoma cruzi Emopamil binding protein, putative 0.0147 0.1514 0.69
Loa Loa (eye worm) hypothetical protein 0.019 0.2103 0.3387
Schistosoma mansoni hypothetical protein 0.0152 0.1591 0.1591
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0225 0.0913
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0152 0.1591 0.142
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0559 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0225 0.0362
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0559 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0559 0.0901
Loa Loa (eye worm) hypothetical protein 0.0491 0.621 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.019 0.2103 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0559 0.0559
Trypanosoma cruzi Emopamil binding protein, putative 0.0147 0.1514 0.69
Mycobacterium ulcerans hypothetical protein 0.019 0.2103 1
Brugia malayi Pre-SET motif family protein 0.0216 0.246 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.019 0.2103 1
Echinococcus multilocularis lamin b receptor 0.005 0.0203 0.0003
Echinococcus multilocularis microtubule associated protein 2 0.0769 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.246 0.3962
Trichomonas vaginalis set domain proteins, putative 0.0246 0.2867 1
Echinococcus granulosus tumor protein p63 0.0684 0.8842 0.8819

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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