Detailed information for compound 460151

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.381 | Formula: C18H22F3N3O2
  • H donors: 1 H acceptors: 3 LogP: 3.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNC(=O)C(C(F)(F)F)N(C(=O)c1cccnc1)C1CCCCC1
  • InChi: 1S/C18H22F3N3O2/c1-2-10-23-16(25)15(18(19,20)21)24(14-8-4-3-5-9-14)17(26)13-7-6-11-22-12-13/h2,6-7,11-12,14-15H,1,3-5,8-10H2,(H,23,25)
  • InChiKey: GENUHJJGYBFIMK-UHFFFAOYSA-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
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.4279 0.4279
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 1 1
Mycobacterium ulcerans hypothetical protein 0.0158 0.486 0.5
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.4279 0.4198
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0074 0.1841 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0028 0.0139 0.0139
Echinococcus multilocularis hypothetical protein 0.0098 0.2686 1
Schistosoma mansoni DNA polymerase gamma 0.0098 0.2686 1
Trypanosoma brucei RNA helicase, putative 0.0082 0.2117 0.2117
Plasmodium vivax DNA polymerase alpha, putative 0.0044 0.0733 0.5
Echinococcus granulosus DNA polymerase subunit gamma 0.0098 0.2686 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0054 0.1104 0.3791
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.486 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 1 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0666 0.0666
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0666 0.0534
Toxoplasma gondii hypothetical protein 0.0048 0.089 1
Giardia lamblia DNA polymerase alpha subunit A 0.0046 0.0803 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0028 0.0139 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0139 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1 0.0873
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0054 0.1104 0.3791
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0028 0.0139 0.0139
Brugia malayi DNA polymerase I family protein 0.0098 0.2686 1
Schistosoma mansoni hypothetical protein 0.0082 0.2117 0.7764
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0666 0.0534
Entamoeba histolytica hypothetical protein, conserved 0.0028 0.0139 0.5
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0054 0.1104 0.3791
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0666 0.0534
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.4279 0.4198
Loa Loa (eye worm) hypothetical protein 0.0098 0.2686 1

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 60 % Antimycobacterial activity against Mycobacterium tuberculosis at 12.5 ug/ml ChEMBL. 17720495
GI (functional) = 60 % Antimycobacterial activity against Mycobacterium tuberculosis at 12.5 ug/ml ChEMBL. 17720495

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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