Detailed information for compound 1049432

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.348 | Formula: C16H20FN3O
  • H donors: 1 H acceptors: 1 LogP: 2.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1occ(n1)CNCCN1CCCC1
  • InChi: 1S/C16H20FN3O/c17-14-5-3-13(4-6-14)16-19-15(12-21-16)11-18-7-10-20-8-1-2-9-20/h3-6,12,18H,1-2,7-11H2
  • InChiKey: NDCTUAGGISSQSD-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
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.1466 0.0937
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0806 0.1887
Trypanosoma brucei unspecified product 0.0013 0.0806 0.1887
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.1466 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1466 0.1466
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1466 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.2805 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Leishmania major DNA polymerase eta, putative 0.0031 0.2805 0.6568
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0583 0.0583
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0583 0.0583
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0583 0.0583
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0583 0.0583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 1 1
Plasmodium vivax DNA repair protein REV1, putative 0.0006 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0583 0.0583
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0583 0.0583
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.4271 0.4271
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.4271 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0583 0.0583
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0583 0.0583
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0583 0.0583
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0583 0.0583
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 1 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.1466 0.0937
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0806 0.1887
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0583 0.0583
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Schistosoma mansoni DNA polymerase eta 0.0044 0.4271 0.4271
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1466 0.3432
Brugia malayi nuclear hormone receptor 0.0011 0.0583 0.0583
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0583 0.0583
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.2805 0.6568
Echinococcus multilocularis dna polymerase kappa 0.0019 0.1466 0.0937
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.1466 0.5
Giardia lamblia DINP protein human, muc B family 0.0019 0.1466 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.1466 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.4271 0.4271
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0583 0.0583
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.1466 0.5
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0583 0.0583
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.1466 0.1466
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0583 0.0583
Schistosoma mansoni coup transcription factor 0.0011 0.0583 0.0583
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0583 0.0583
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0583 0.0583
Echinococcus multilocularis dna polymerase eta 0.0044 0.4271 0.3916
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0583 0.0583
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0583 0.0583
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1466 0.3432
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1466 0.3432
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0583 0.0583
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0583 0.0583
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0583 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.1466 0.0937
Brugia malayi nuclear receptor NHR-88 0.0011 0.0583 0.0583
Brugia malayi ecdysteroid receptor 0.0011 0.0583 0.0583
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.1466 0.1466
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0583 0.0583
Echinococcus granulosus dna polymerase eta 0.0044 0.4271 0.3916
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0583 0.0583
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0583 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.1466 0.3432
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.4271 1
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0583 0.0583
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0583 0.0583
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0583 0.5
Brugia malayi steroid hormone receptor 0.0011 0.0583 0.0583
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0583 0.0583
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0583 0.0583
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1466 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0583 0.0583
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0583 0.0583
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0583 0.0583
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0583 0.0583
Trypanosoma brucei unspecified product 0.0019 0.1466 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0583 0.0583
Onchocerca volvulus 0.0011 0.0583 0.5
Trypanosoma brucei unspecified product 0.0013 0.0806 0.1887
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.1466 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Plasmodium falciparum DNA repair protein REV1, putative 0.0006 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.1466 0.1466
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0583 0.0583
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0583 0.0583
Leishmania major DNA polymerase eta, putative 0.0044 0.4271 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0806 0.1887
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0583 0.0583
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0583 0.0583
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1466 0.3432
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0583 0.0583

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 1 % 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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