Detailed information for compound 1464433

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.824 | Formula: C19H19ClFN3O2
  • H donors: 2 H acceptors: 2 LogP: 3.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)N[C@H]1CCN(C1)Cc1ccccc1)Nc1ccc(c(c1)F)Cl
  • InChi: 1S/C19H19ClFN3O2/c20-16-7-6-14(10-17(16)21)22-18(25)19(26)23-15-8-9-24(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,25)(H,23,26)/t15-/m0/s1
  • InChiKey: AQTQPHWRJWBCSM-HNNXBMFYSA-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
Loa Loa (eye worm) transcription factor SMAD2 0.0145 0.4974 0.4974
Echinococcus granulosus tar DNA binding protein 0.0077 0.1801 0.2306
Brugia malayi latrophilin 2 splice variant baaae 0.0083 0.2073 0.4168
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0044 0.0251 0.0321
Loa Loa (eye worm) RNA binding protein 0.0077 0.1801 0.1801
Brugia malayi RNA binding protein 0.0077 0.1801 0.362
Brugia malayi Calcitonin receptor-like protein seb-1 0.0121 0.3859 0.7759
Entamoeba histolytica hypothetical protein 0.0044 0.0251 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0044 0.0251 0.0321
Echinococcus granulosus geminin 0.0206 0.7809 1
Schistosoma mansoni tar DNA-binding protein 0.0077 0.1801 0.2306
Loa Loa (eye worm) hypothetical protein 0.0083 0.2073 0.2073
Brugia malayi hypothetical protein 0.0044 0.0251 0.0504
Schistosoma mansoni tar DNA-binding protein 0.0077 0.1801 0.2306
Loa Loa (eye worm) hypothetical protein 0.0121 0.3859 0.3859
Brugia malayi MH2 domain containing protein 0.0145 0.4974 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0121 0.3859 0.3859
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0121 0.3859 0.7759
Brugia malayi RNA recognition motif domain containing protein 0.0077 0.1801 0.362
Schistosoma mansoni hypothetical protein 0.0083 0.2073 0.2655
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Schistosoma mansoni hypothetical protein 0.0206 0.7809 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0253 1 1
Echinococcus multilocularis geminin 0.0206 0.7809 1
Toxoplasma gondii hypothetical protein 0.0253 1 0.5
Entamoeba histolytica hypothetical protein 0.0044 0.0251 0.5
Schistosoma mansoni tar DNA-binding protein 0.0077 0.1801 0.2306
Brugia malayi TAR-binding protein 0.0077 0.1801 0.362
Echinococcus multilocularis tar DNA binding protein 0.0077 0.1801 0.2306
Loa Loa (eye worm) TAR-binding protein 0.0077 0.1801 0.1801
Schistosoma mansoni hypothetical protein 0.0044 0.0251 0.0321
Schistosoma mansoni tar DNA-binding protein 0.0077 0.1801 0.2306
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Entamoeba histolytica hypothetical protein 0.0044 0.0251 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0044 0.0251 0.0321
Schistosoma mansoni hypothetical protein 0.0206 0.7809 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0077 0.1801 0.1801
Entamoeba histolytica hypothetical protein 0.0044 0.0251 0.5
Schistosoma mansoni tar DNA-binding protein 0.0077 0.1801 0.2306
Loa Loa (eye worm) MH2 domain-containing protein 0.0145 0.4974 0.4974

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs ChEMBL. 21169023

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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