Detailed information for compound 1495713

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.394 | Formula: C19H22FN3O4
  • H donors: 2 H acceptors: 3 LogP: 0.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1NCCN(C1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C
  • InChi: 1S/C19H22FN3O4/c1-3-11-7-22(5-4-21-11)16-14(20)6-12-15-18(16)27-9-10(2)23(15)8-13(17(12)24)19(25)26/h6,8,10-11,21H,3-5,7,9H2,1-2H3,(H,25,26)/t10-,11?/m0/s1
  • InChiKey: WFCAUZOFPGORSR-VUWPPUDQSA-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
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0499 0.2574 0.5
Toxoplasma gondii apocytochrome b, putative 0.0499 0.2574 1
Echinococcus multilocularis tumor protein p63 0.0393 0.1954 0.5
Brugia malayi cytochrome b 0.0305 0.1442 1
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.1773 1 0.5
Schistosoma mansoni cytochrome b 0.0305 0.1442 0.5601
Onchocerca volvulus 0.1773 1 1
Toxoplasma gondii cytochrome b 0.0499 0.2574 1
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.1773 1 0.5
Plasmodium falciparum cytochrome b 0.0499 0.2574 0.5
Schistosoma mansoni cytochrome b 0.0499 0.2574 1
Loa Loa (eye worm) cytochrome b 0.0305 0.1442 1
Plasmodium vivax cytochrome b 0.0499 0.2574 0.5
Echinococcus granulosus cytochrome B 0.0499 0.2574 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0003 0.0019
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0003 0.0019

Activities

Activity type Activity value Assay description Source Reference
LD99 (functional) = 0.5 ug ml-1 Bactericidal activity against Escherichia coli K-12 DM4100 after 2 hrs in presence of protein synthesis inhibitor chloramphenicol treated 10 mins before compound challenge ChEMBL. 20855738
MIC (functional) = 0.25 ug ml-1 Bacteriostatic activity against Escherichia coli K-12 DM4100 ChEMBL. 20855738
Ratio (functional) = 2 Ratio of LD99 for Escherichia coli K-12 DM4100 to MIC for Escherichia coli K-12 DM4100 ChEMBL. 20855738

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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