Detailed information for compound 1726180

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.328 | Formula: C17H17FN2O
  • H donors: 2 H acceptors: 1 LogP: 3.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNc1ccccc1C(=O)NCc1ccc(cc1)F
  • InChi: 1S/C17H17FN2O/c1-2-11-19-16-6-4-3-5-15(16)17(21)20-12-13-7-9-14(18)10-8-13/h2-10,19H,1,11-12H2,(H,20,21)
  • InChiKey: SDEISMNKFBMFFU-UHFFFAOYSA-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
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0448 0.9757 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0332 0.0332
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0344 0.0344
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0035 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Echinococcus multilocularis musashi 0.003 0.0344 0.0344
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0155 0.012
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0068 0.0068
Echinococcus multilocularis lamin dm0 0.003 0.0344 0.0344
Loa Loa (eye worm) intermediate filament protein 0.003 0.0344 0.0344
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0909 0.0909
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0448 0.9757 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0155 0.012
Echinococcus granulosus intermediate filament protein 0.003 0.0344 0.0344
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0448 0.9757 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0223 0.4693 0.4693
Toxoplasma gondii peptidylprolyl isomerase 0.0448 0.9757 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0155 0.0155
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0223 0.4693 0.4674
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0186 0.3852 0.3852
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0155 0.0155
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0139 0.2817 0.5
Schistosoma mansoni lamin 0.003 0.0344 0.0278
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0139 0.2817 0.2882
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0155 0.0155
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0448 0.9757 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0909 0.0877
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0155 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0068 0.0068
Echinococcus granulosus lamin 0.003 0.0344 0.0344
Trypanosoma brucei unspecified product 0.0021 0.0155 0.0152
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0155 0.0155
Echinococcus granulosus dna polymerase kappa 0.0021 0.0155 0.0155
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0139 0.2817 0.2772
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0155 0.0088
Loa Loa (eye worm) hypothetical protein 0.003 0.0344 0.0344
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0155 0.5
Echinococcus granulosus GPCR family 2 0.0017 0.0068 0.0068
Echinococcus granulosus geminin 0.0186 0.386 0.386
Loa Loa (eye worm) hypothetical protein 0.0037 0.052 0.052
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0068 0.0068
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0139 0.2817 0.2772
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0155 0.0152
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0155 0.0152
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0186 0.3852 0.3852
Brugia malayi MH2 domain containing protein 0.0131 0.2625 0.2599
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0139 0.2817 0.2772
Echinococcus multilocularis dna polymerase eta 0.0021 0.0155 0.0155
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0155 0.5
Schistosoma mansoni lamin 0.003 0.0344 0.0278
Trichomonas vaginalis rotamase, putative 0.0448 0.9757 0.9753
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0155 0.0152
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0155 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0068 0.0033
Onchocerca volvulus 0.003 0.0344 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.052 0.0486
Echinococcus granulosus dna polymerase eta 0.0021 0.0155 0.0155
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0344 0.031
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.2625 0.2625
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.2625 0.2625
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0068 0.0033
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0448 0.9757 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Schistosoma mansoni hypothetical protein 0.0186 0.386 0.3818
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Brugia malayi intermediate filament protein 0.003 0.0344 0.031
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Giardia lamblia DINP protein human, muc B family 0.0021 0.0155 0.5
Onchocerca volvulus 0.003 0.0344 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.052 0.0455
Echinococcus multilocularis geminin 0.0186 0.386 0.386
Echinococcus multilocularis GPCR, family 2 0.0017 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0186 0.386 0.3818
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0155 0.0152
Echinococcus granulosus lamin dm0 0.003 0.0344 0.0344
Echinococcus multilocularis lamin 0.003 0.0344 0.0344
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0068 0.0068
Schistosoma mansoni intermediate filament proteins 0.003 0.0344 0.0278
Schistosoma mansoni DNA polymerase eta 0.0021 0.0155 0.0088
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0155 0.0152
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0155 0.0088

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 44 % Increase in bleeding time in mouse at 30 micromol/kg, po measured after 1 hr of treatment ChEMBL. 24900559

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.