Detailed information for compound 1057554

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.316 | Formula: C16H16FN3O
  • H donors: 0 H acceptors: 2 LogP: 3.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc(cn1Cc1coc(n1)c1ccc(cc1)F)C
  • InChi: 1S/C16H16FN3O/c1-3-15-18-11(2)8-20(15)9-14-10-21-16(19-14)12-4-6-13(17)7-5-12/h4-8,10H,3,9H2,1-2H3
  • InChiKey: VAIWNWJTLRQATO-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
Brugia malayi RNA recognition motif domain containing protein 0.0138 1 1
Giardia lamblia DINP protein human, muc B family 0.0042 0.223 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.223 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.223 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1489 0.0526
Schistosoma mansoni hypothetical protein 0.0033 0.1489 0.0526
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.1017 0.1017
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1489 0.0526
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.223 0.135
Loa Loa (eye worm) hypothetical protein 0.0027 0.0977 0.0977
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.223 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.223 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.223 0.135
Schistosoma mansoni tar DNA-binding protein 0.0138 1 1
Echinococcus granulosus tar DNA binding protein 0.0138 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.223 0.223
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.223 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.223 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Schistosoma mansoni hypothetical protein 0.0033 0.1489 0.0526
Loa Loa (eye worm) hypothetical protein 0.0042 0.223 0.223
Loa Loa (eye worm) RNA binding protein 0.0138 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.1017 0.1017
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.7243 0.7243
Trypanosoma brucei DNA polymerase eta, putative 0.0042 0.223 1
Trypanosoma brucei unspecified product 0.0042 0.223 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Echinococcus multilocularis dna polymerase eta 0.0042 0.223 0.135
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.223 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1489 0.1489
Loa Loa (eye worm) hypothetical protein 0.0104 0.7243 0.7243
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.223 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1017 0.1017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.223 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.878 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.878 0.878
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1489 0.1489
Echinococcus multilocularis dna polymerase kappa 0.0042 0.223 0.135
Schistosoma mansoni hypothetical protein 0.0071 0.458 0.3966
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.223 0.135
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.7243 0.7243
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1489 0.0526
Schistosoma mansoni tar DNA-binding protein 0.0138 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Echinococcus multilocularis tar DNA binding protein 0.0138 1 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.878 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.223 0.223
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1489 0.0526
Schistosoma mansoni tar DNA-binding protein 0.0138 1 1
Brugia malayi intermediate filament protein 0.0027 0.1017 0.1017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.223 0.5
Leishmania major DNA polymerase kappa, putative 0.0042 0.223 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.223 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.458 0.458
Loa Loa (eye worm) intermediate filament protein 0.0027 0.1017 0.1017
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.223 0.5
Brugia malayi hypothetical protein 0.0123 0.878 0.878
Loa Loa (eye worm) hypothetical protein 0.0123 0.878 0.878
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.223 0.223
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.223 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1489 0.1489
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Echinococcus multilocularis GPCR, family 2 0.0033 0.1489 0.0526
Echinococcus granulosus GPCR family 2 0.0033 0.1489 0.0526
Schistosoma mansoni tar DNA-binding protein 0.0138 1 1
Loa Loa (eye worm) TAR-binding protein 0.0138 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.7243 0.7243
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.223 0.135
Schistosoma mansoni tar DNA-binding protein 0.0138 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.223 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.223 0.5
Brugia malayi TAR-binding protein 0.0138 1 1
Echinococcus granulosus dna polymerase eta 0.0042 0.223 0.135
Schistosoma mansoni hypothetical protein 0.0033 0.1489 0.0526
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.458 0.458
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.223 1
Leishmania major DNA polymerase eta, putative 0.0042 0.223 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.1489 0.0526
Schistosoma mansoni DNA polymerase eta 0.0042 0.223 0.135
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1489 0.1489
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.223 0.5
Echinococcus granulosus dna polymerase kappa 0.0042 0.223 0.135

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 3 % 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.