Detailed information for compound 1043937

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.39 | Formula: C20H20FN3O3
  • H donors: 2 H acceptors: 2 LogP: 3.68 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1ccc(nc1OCc1cccc(c1)F)C)\NCc1ccc(o1)C
  • InChi: 1S/C20H20FN3O3/c1-13-6-9-18(19(24-25)22-11-17-8-7-14(2)27-17)20(23-13)26-12-15-4-3-5-16(21)10-15/h3-10,25H,11-12H2,1-2H3,(H,22,24)
  • InChiKey: QBHNVQFILMLJPL-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
Schistosoma mansoni hypothetical protein 0.0068 0.004 0.214
Mycobacterium ulcerans AcrR family transcriptional regulator 0.542 1 0.5
Echinococcus granulosus GPCR family 2 0.0068 0.004 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0215 0.0313 0.8366
Loa Loa (eye worm) hypothetical protein 0.0215 0.0313 0.8366
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.542 1 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.0375 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.004 1
Mycobacterium ulcerans transcriptional regulator 0.542 1 0.5
Schistosoma mansoni hypothetical protein 0.0147 0.0187 1
Brugia malayi MH2 domain containing protein 0.0248 0.0375 1
Schistosoma mansoni hypothetical protein 0.0068 0.004 0.214
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.004 1
Echinococcus multilocularis GPCR, family 2 0.0068 0.004 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.0375 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.004 0.1067
Loa Loa (eye worm) hypothetical protein 0.0147 0.0187 0.4987
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0215 0.0313 0.8366
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.004 1
Mycobacterium ulcerans TetR family transcriptional regulator 0.542 1 0.5
Brugia malayi hypothetical protein 0.0124 0.0145 0.3874
Schistosoma mansoni hypothetical protein 0.0068 0.004 0.214
Brugia malayi follicle stimulating hormone receptor 0.0235 0.0351 0.9382
Onchocerca volvulus Huntingtin homolog 0.0124 0.0145 0.5
Onchocerca volvulus Huntingtin homolog 0.0124 0.0145 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.0145 0.3874
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.004 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.004 0.1067
Brugia malayi Calcitonin receptor-like protein seb-1 0.0215 0.0313 0.8366
Brugia malayi Latrophilin receptor protein 2 0.0068 0.004 0.1067
Brugia malayi latrophilin 2 splice variant baaae 0.0147 0.0187 0.4987
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.0351 0.9382
Loa Loa (eye worm) hypothetical protein 0.0124 0.0145 0.3874
Loa Loa (eye worm) hypothetical protein 0.0068 0.004 0.1067
Schistosoma mansoni hypothetical protein 0.0068 0.004 0.214

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -14 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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