Detailed information for compound 1142725

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.324 | Formula: C16H17N3O3
  • H donors: 1 H acceptors: 4 LogP: 1.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1Cc1cncc(n1)N1CC(C1)C(=O)O
  • InChi: 1S/C16H17N3O3/c1-22-14-5-3-2-4-11(14)6-13-7-17-8-15(18-13)19-9-12(10-19)16(20)21/h2-5,7-8,12H,6,9-10H2,1H3,(H,20,21)
  • InChiKey: BYWAVTOXFJFMRF-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
Schistosoma mansoni hypothetical protein 0.0069 0.0268 0.0156
Echinococcus multilocularis microtubule associated protein 2 0.0702 1 1
Brugia malayi hypothetical protein 0.0079 0.0421 0.0294
Loa Loa (eye worm) transcription factor SMAD2 0.0408 0.5474 1
Loa Loa (eye worm) TAR-binding protein 0.0274 0.3426 0.6179
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0421 0.0311
Onchocerca volvulus 0.0059 0.0114 0.5
Brugia malayi RNA binding protein 0.0274 0.3426 0.6066
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0415 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0415 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.2851 0.5106
Loa Loa (eye worm) hypothetical protein 0.0078 0.0415 0.0561
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0415 0.5
Schistosoma mansoni tar DNA-binding protein 0.0274 0.3426 0.335
Schistosoma mansoni hypothetical protein 0.0079 0.0421 0.0311
Schistosoma mansoni tar DNA-binding protein 0.0274 0.3426 0.335
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0415 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0415 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0758 0.094
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0415 0.5
Entamoeba histolytica hypothetical protein 0.0079 0.0421 0.5
Echinococcus granulosus tar DNA binding protein 0.0274 0.3426 0.3426
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0415 0.5
Entamoeba histolytica hypothetical protein 0.0079 0.0421 0.5
Brugia malayi MH2 domain containing protein 0.0408 0.5474 1
Brugia malayi TAR-binding protein 0.0274 0.3426 0.6066
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0421 0.0421
Echinococcus multilocularis tar DNA binding protein 0.0274 0.3426 0.3426
Brugia malayi hypothetical protein 0.0237 0.2851 0.496
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0758 0.1201
Brugia malayi RNA recognition motif domain containing protein 0.0274 0.3426 0.6066
Entamoeba histolytica hypothetical protein 0.0079 0.0421 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0421 0.0421
Loa Loa (eye worm) RNA binding protein 0.0274 0.3426 0.6179
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0415 0.0304
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0415 0.0415
Schistosoma mansoni tar DNA-binding protein 0.0274 0.3426 0.335
Schistosoma mansoni microtubule-associated protein tau 0.0702 1 1
Schistosoma mansoni tar DNA-binding protein 0.0274 0.3426 0.335
Brugia malayi Probable ClpP-like protease 0.0078 0.0415 0.0281
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0415 0.5
Entamoeba histolytica hypothetical protein 0.0079 0.0421 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0415 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0408 0.5474 1
Schistosoma mansoni tar DNA-binding protein 0.0274 0.3426 0.335
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0415 0.5
Echinococcus granulosus tumor protein p63 0.0401 0.5378 0.5378
Loa Loa (eye worm) hypothetical protein 0.0069 0.0268 0.0288
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0415 0.0415
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.2752 1
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2851 0.2851
Loa Loa (eye worm) hypothetical protein 0.0101 0.0758 0.1201
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0274 0.3426 0.6179
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0415 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0758 0.094
Echinococcus multilocularis tumor protein p63 0.0401 0.5378 0.5378
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2851 0.2851

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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