Detailed information for compound 987446

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.363 | Formula: C18H20N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)/C=C/c1cn(c2c1cccc2)C(=O)C)NC(C)(C)C
  • InChi: 1S/C18H20N2O3/c1-12(21)20-11-13(14-7-5-6-8-15(14)20)9-10-16(22)17(23)19-18(2,3)4/h5-11H,1-4H3,(H,19,23)/b10-9+
  • InChiKey: XCOHPMZVJMLJAC-MDZDMXLPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2476 0.8067
Echinococcus granulosus ATP synthase subunit beta mitochondrial 0.01 0.307 1
Treponema pallidum flagellum-specific ATP synthase (fliI) 0.01 0.307 0.307
Mycobacterium ulcerans peptide deformylase 0.0231 1 1
Trypanosoma cruzi ATP synthase subunit beta, mitochondrial, putative 0.01 0.307 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0231 1 1
Loa Loa (eye worm) ATP synthase subunit beta 0.0076 0.1831 1
Echinococcus multilocularis ATP synthase subunit beta, mitochondrial 0.01 0.307 1
Treponema pallidum polypeptide deformylase (def) 0.0231 1 1
Giardia lamblia Vacuolar ATP synthase subunit B 0.0041 0 0.5
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.01 0.307 0.307
Brugia malayi ATP synthase beta chain, mitochondrial precursor, putative 0.01 0.307 1
Toxoplasma gondii hypothetical protein 0.0231 1 1
Trypanosoma brucei ATP synthase subunit beta, mitochondrial 0.01 0.307 1
Trichomonas vaginalis ATP synthase, putative 0.0041 0 0.5
Schistosoma mansoni ATP synthase beta subunit 0.01 0.307 1
Trypanosoma brucei Peptide deformylase 2 0.0088 0.2476 0.8067
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.01 0.307 0.307
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2476 0.8067
Chlamydia trachomatis type III secretion system ATPase 0.01 0.307 0.307
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0231 1 1
Leishmania major polypeptide deformylase-like protein, putative 0.0088 0.2476 0.8067
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0231 1 1
Plasmodium vivax ATP synthase subunit beta, mitochondrial, putative 0.01 0.307 0.307
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2476 0.8067
Leishmania major ATPase beta subunit, putative 0.01 0.307 1
Mycobacterium ulcerans F0F1 ATP synthase subunit beta 0.01 0.307 0.307
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2476 0.8067
Toxoplasma gondii ATP synthase beta subunit ATP-B 0.01 0.307 0.307
Trypanosoma brucei Polypeptide deformylase 1 0.0088 0.2476 0.8067
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit beta 0.01 0.307 0.307
Entamoeba histolytica V-type ATPase, B subunit, putative 0.0041 0 0.5
Trichomonas vaginalis ATP synthase beta subunit, putative 0.0041 0 0.5
Plasmodium falciparum peptide deformylase 0.0231 1 1
Leishmania major ATPase beta subunit, putative 0.01 0.307 1
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.0041 0 0.5
Trichomonas vaginalis ATP synthase alpha subunit mitochondrial, putative 0.0041 0 0.5
Plasmodium falciparum ATP synthase subunit beta, mitochondrial 0.01 0.307 0.307
Entamoeba histolytica V-type ATPase, A subunit, putative 0.0041 0 0.5
Giardia lamblia Vacuolar ATP synthase catalytic subunit A 0.0041 0 0.5
Plasmodium vivax peptide deformylase, putative 0.0231 1 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.