TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 284.331 | Formula: C16H17FN4
H donors: 0 H acceptors: 1 LogP: 3.08 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C=NN1CCN(CC1)c1ccccn1
InChi: 1S/C16H17FN4/c17-15-6-4-14(5-7-15)13-19-21-11-9-20(10-12-21)16-3-1-2-8-18-16/h1-8,13H,9-12H2/b19-13-
InChiKey: HDBZYDYSLQBLLA-UYRXBGFRSA-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 granulosus	histone lysine methyltransferase setb	0.0031	0.0654	0.0584
Trichomonas vaginalis	cyclin B3, putative	0.0009	0.0111	0.0135
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0111	0.0135
Schistosoma mansoni	cyclin d	0.0009	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0066	0.157	0.284
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0053	0.1224	0.9808
Schistosoma mansoni	hypothetical protein	0.0009	0.0111	0.0111
Schistosoma mansoni	cyclin G2	0.0009	0.0111	0.0111
Giardia lamblia	Kinase, CMGC GSK	0.0053	0.1224	0.7629
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0581	0.0915
Trypanosoma brucei	protein kinase, putative	0.0053	0.1224	0.7629
Echinococcus granulosus	cpg binding protein	0.0029	0.0622	0.0551
Echinococcus multilocularis	cyclins	0.0039	0.087	0.0801
Trichomonas vaginalis	cyclin B, putative	0.0066	0.157	0.2583
Echinococcus multilocularis	cyclin B3 1	0.0039	0.087	0.0801
Onchocerca volvulus		0.0053	0.1224	0.1894
Trichomonas vaginalis	cyclins, putative	0.0066	0.157	0.2583
Echinococcus granulosus	cyclins	0.0039	0.087	0.0801
Giardia lamblia	G2/mitotic-specific cyclin B	0.0066	0.157	1
Echinococcus multilocularis	cyclin G2	0.0009	0.0111	0.0037
Echinococcus multilocularis	cyclin k	0.0009	0.0111	0.0037
Onchocerca volvulus		0.0031	0.0654	0.0924
Echinococcus granulosus	cyclin B	0.0066	0.157	0.1506
Trichomonas vaginalis	cyclin D, putative	0.0039	0.087	0.1409
Trypanosoma cruzi	cyclin 6, putative	0.0066	0.157	1
Echinococcus multilocularis	cyclin y	0.0009	0.0111	0.0037
Entamoeba histolytica	cyclin family protein	0.0039	0.087	0.5203
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.157	0.284
Trichomonas vaginalis	cyclins, putative	0.0037	0.0811	0.1309
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0053	0.1224	0.1158
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1246	1
Brugia malayi	intracellular kinase	0.0053	0.1224	0.2167
Schistosoma mansoni	cyclin k	0.0009	0.0111	0.0111
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0654	0.0654
Trichomonas vaginalis	cyclins, putative	0.0039	0.087	0.1409
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0654	0.1058
Entamoeba histolytica	protein kinase, putative	0.0053	0.1224	0.7629
Entamoeba histolytica	cyclin family protein	0.0039	0.087	0.5203
Echinococcus multilocularis	cyclins	0.0039	0.087	0.0801
Brugia malayi	Pre-SET motif family protein	0.0031	0.0654	0.1058
Schistosoma mansoni	Cyclin fold protein	0.0009	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0066	0.157	0.284
Echinococcus multilocularis	cyclin G2	0.0009	0.0111	0.0037
Trichomonas vaginalis	cyclin D, putative	0.0009	0.0111	0.0135
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0111	0.0135
Plasmodium falciparum	cyclin	0.0039	0.087	0.682
Echinococcus granulosus	cyclin k	0.0009	0.0111	0.0037
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0053	0.1224	0.2167
Schistosoma mansoni	hypothetical protein	0.0009	0.0111	0.0111
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0654	0.0584
Giardia lamblia	Kinase, CMGC GSK	0.0053	0.1224	0.7629
Trypanosoma cruzi	cyclin, putative	0.0066	0.157	1
Echinococcus granulosus	G1:S specific cyclin D1	0.0009	0.0111	0.0037
Leishmania major	cyclin	0.0066	0.157	1
Trichomonas vaginalis	cyclin A, putative	0.0009	0.0111	0.0135
Echinococcus granulosus	cyclin B3 1	0.0039	0.087	0.0801
Entamoeba histolytica	cyclin, putative	0.0039	0.087	0.5203
Onchocerca volvulus		0.0028	0.0581	0.08
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0053	0.1224	0.7629
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.157	0.284
Echinococcus multilocularis	dnaJ subfamily B	0.0395	1	1
Schistosoma mansoni	cyclins	0.0039	0.087	0.087
Schistosoma mansoni	hypothetical protein	0.0395	1	1
Echinococcus granulosus	Cyclin L1	0.0009	0.0111	0.0037
Echinococcus multilocularis	cyclin b3	0.0039	0.087	0.0801
Schistosoma mansoni	cyclin G	0.0009	0.0111	0.0111
Trichomonas vaginalis	cyclin A, putative	0.0066	0.157	0.2583
Echinococcus multilocularis	cpg binding protein	0.0029	0.0622	0.0551
Trichomonas vaginalis	cyclin B, putative	0.0066	0.157	0.2583
Trichomonas vaginalis	cyclins, putative	0.0009	0.0111	0.0135
Trichomonas vaginalis	cyclin B3, putative	0.0009	0.0111	0.0135
Echinococcus multilocularis	G1:S specific cyclin D1	0.0009	0.0111	0.0037
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1407	0.1407
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0654	0.0654
Trichomonas vaginalis	cyclin B, putative	0.0009	0.0111	0.0135
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.1224	0.2003
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0066	0.157	1
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0118	0.0014
Echinococcus granulosus	cyclin y	0.0009	0.0111	0.0037
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.5247	1
Onchocerca volvulus		0.0239	0.5987	1
Echinococcus multilocularis	cyclin t1	0.0009	0.0111	0.0037
Echinococcus granulosus	cyclin y	0.0009	0.0111	0.0037
Trichomonas vaginalis	cyclins, putative	0.0066	0.157	0.2583
Echinococcus multilocularis	Cyclin L1	0.0009	0.0111	0.0037
Echinococcus multilocularis	cyclin B	0.0066	0.157	0.1506
Echinococcus multilocularis	cyclins	0.0039	0.087	0.0801
Echinococcus multilocularis	cyclin y	0.0009	0.0111	0.0037
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.1224	0.2003
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0581	0.0915
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0053	0.1224	1
Schistosoma mansoni	cyclin l	0.0009	0.0111	0.0111
Echinococcus granulosus	cyclins	0.0039	0.087	0.0801
Schistosoma mansoni	cyclin B3	0.0161	0.4005	0.4005
Trypanosoma cruzi	cyclin, putative	0.0066	0.157	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0569	0.0892
Schistosoma mansoni	g1/s-specific cyclin C	0.0009	0.0111	0.0111
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0654	0.0584
Trichomonas vaginalis	cyclin B, putative	0.0039	0.087	0.1409
Echinococcus granulosus	cyclins	0.0039	0.087	0.0801
Echinococcus granulosus	cyclins	0.0039	0.087	0.0801
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0654	0.0654
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0053	0.1224	0.1224
Entamoeba histolytica	protein kinase domain containing protein	0.0053	0.1224	0.7629
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0161	0.4005	0.396
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0009	0.0111	0.0037
Echinococcus granulosus	cyclin G2	0.0009	0.0111	0.0037
Trypanosoma brucei	mitotic cyclin 6	0.0066	0.157	1
Entamoeba histolytica	cyclin, putative	0.0066	0.157	1
Trichomonas vaginalis	cyclins, putative	0.0066	0.157	0.2583
Echinococcus granulosus	cyclin b3	0.0039	0.087	0.0801
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0075	0.0075
Echinococcus granulosus	cyclins	0.0039	0.087	0.0801
Trichomonas vaginalis	cyclin B, putative	0.0066	0.157	0.2583
Echinococcus granulosus	cyclin t1	0.0009	0.0111	0.0037
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0044
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0111	0.0135
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0053	0.1224	0.2167
Giardia lamblia	Hypothetical protein	0.0039	0.087	0.5203
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0115	0.0008
Trichomonas vaginalis	cyclin B3, putative	0.0039	0.087	0.1409
Echinococcus granulosus	cyclin G2	0.0009	0.0111	0.0037
Schistosoma mansoni	cpg binding protein	0.0029	0.0622	0.0622
Echinococcus granulosus	cyclin A3 4	0.0009	0.0111	0.0037
Echinococcus multilocularis	cyclin A3 4	0.0009	0.0111	0.0037
Schistosoma mansoni	cyclin B	0.0066	0.157	0.157
Echinococcus multilocularis	cyclins	0.0039	0.087	0.0801
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.061	0.054
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0009	0.0111	0.0037
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0053	0.1224	0.1158
Giardia lamblia	Cyclin A	0.0039	0.087	0.5203
Entamoeba histolytica	protein kinase domain containing protein	0.0053	0.1224	0.7629
Echinococcus multilocularis	cyclins	0.0039	0.087	0.0801
Trichomonas vaginalis	cyclin B, putative	0.0066	0.157	0.2583
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0009	0.0111	0.0037
Echinococcus granulosus	protein kinase shaggy	0.0053	0.1224	0.1158
Echinococcus multilocularis	cyclins	0.0039	0.087	0.0801
Trichomonas vaginalis	cyclins, putative	0.0009	0.0111	0.0135
Schistosoma mansoni	cpg binding protein	0.0028	0.0581	0.0581
Echinococcus multilocularis	cyclins	0.0039	0.087	0.0801
Schistosoma mansoni	cpg binding protein	0.0029	0.0622	0.0622
Brugia malayi	Pre-SET motif family protein	0.021	0.5247	1
Toxoplasma gondii	hypothetical protein	0.003	0.0629	0.4561
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.087	0.1409
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0053	0.1224	0.7629
Plasmodium vivax	SET domain protein, putative	0.0031	0.0654	0.4882
Trichomonas vaginalis	cyclin B, putative	0.0009	0.0111	0.0135
Onchocerca volvulus		0.0066	0.157	0.2482
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0161	0.4005	0.7582
Echinococcus multilocularis	protein kinase shaggy	0.0053	0.1224	0.1158
Echinococcus multilocularis	cyclin	0.0009	0.0111	0.0037
Echinococcus granulosus	cyclin	0.0009	0.0111	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0111	0.0135
Trichomonas vaginalis	cyclin D, putative	0.0039	0.087	0.1409
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0066	0.157	1
Trichomonas vaginalis	cyclins, putative	0.0066	0.157	0.2583
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0044
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0161	0.4005	0.396
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0654	0.4788
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0009	0.0111	0.0111
Plasmodium falciparum	glycogen synthase kinase 3	0.0053	0.1224	1
Echinococcus granulosus	cyclins	0.0009	0.0111	0.0037
Trichomonas vaginalis	set domain proteins, putative	0.0239	0.5987	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0161	0.4005	0.7582
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0009	0.0111	0.0037
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0654	0.0654

Activities

No activities found for this compound.

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

Search by Saint Jude

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 657972