TDR Targets

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

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

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

ChEMBL: CHEMBL1860110

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.

Detailed information for compound 1049432