TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 307.393 | Formula: C18H21N5
H donors: 2 H acceptors: 2 LogP: 3.17 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)n(cn2)c1cccc(n1)NC1CCNCC1
InChi: 1S/C18H21N5/c1-13-5-6-15-16(11-13)23(12-20-15)18-4-2-3-17(22-18)21-14-7-9-19-10-8-14/h2-6,11-12,14,19H,7-10H2,1H3,(H,21,22)
InChiKey: ZZEHJIVPALSJDC-UHFFFAOYSA-N

Network

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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

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	interleukin-1 receptor-associated kinase 4	Starlite/ChEMBL	References

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	Tubulin alpha 1 chain	0.0048	0.35	0.2634
Schistosoma mansoni	tubulin subunit alpha	0.0048	0.35	0.3951
Plasmodium vivax	tubulin alpha chain, putative	0.0048	0.35	1
Echinococcus granulosus	alpha tubulin	0.0048	0.35	0.2634
Echinococcus granulosus	tubulin alpha chain	0.0048	0.35	0.2634
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0033	0.1968	0.5621
Echinococcus granulosus	muscleblind protein	0.0109	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0048	0.35	1
Leishmania major	alpha tubulin	0.0048	0.35	1
Loa Loa (eye worm)	beta-tubulin	0.0026	0.1176	0.0418
Schistosoma mansoni	lipoxygenase	0.0084	0.729	1
Brugia malayi	beta-tubulin, identical	0.0026	0.1176	0.1176
Trichomonas vaginalis	tubulin gamma chain, putative	0.0026	0.1176	0.336
Echinococcus multilocularis	tubulin alpha 3 chain	0.0048	0.35	0.2634
Trichomonas vaginalis	tubulin, putative	0.0026	0.1176	0.336
Loa Loa (eye worm)	alpha-tubulin	0.0048	0.35	0.2941
Echinococcus multilocularis	tubulin alpha 1C chain	0.0048	0.35	0.2634
Leishmania major	alpha tubulin	0.0048	0.35	1
Loa Loa (eye worm)	tubulin beta chain	0.0026	0.1176	0.0418
Brugia malayi	latrophilin 2 splice variant baaae	0.0024	0.1025	0.1025
Echinococcus granulosus	tubulin alpha 3 chain	0.0048	0.35	0.2634
Loa Loa (eye worm)	tubulin beta-2A chain	0.0026	0.1176	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0067	0.5585	0.5206
Trichomonas vaginalis	tubulin alpha chain, putative	0.0026	0.1176	0.336
Loa Loa (eye worm)	alpha-tubulin	0.0048	0.35	0.2941
Loa Loa (eye worm)	hypothetical protein	0.0048	0.35	0.2941
Leishmania major	alpha tubulin	0.0048	0.35	1
Echinococcus granulosus	tubulin alpha chain	0.0048	0.35	0.2634
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0048	0.35	0.2634
Trypanosoma brucei	alpha tubulin	0.0048	0.35	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0048	0.35	0.2634
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0048	0.35	1
Brugia malayi	tubulin alpha-2 chain	0.0048	0.35	0.35
Echinococcus multilocularis	hypothetical protein	0.0048	0.35	0.2634
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0035	0.2209	0.2209
Trypanosoma brucei	tubulin gamma chain	0.0026	0.1176	0.336
Trypanosoma brucei	alpha tubulin	0.0048	0.35	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0048	0.35	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.2124	0.1755
Giardia lamblia	Alpha-tubulin	0.0048	0.35	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0048	0.35	0.2941
Leishmania major	alpha tubulin	0.0048	0.35	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0026	0.1176	0.336
Echinococcus granulosus	acetylcholinesterase	0.0067	0.5585	0.4997
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0035	0.2124	0.1075
Echinococcus multilocularis	tubulin alpha chain	0.0048	0.35	0.2634
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	0.1176	0.336
Trypanosoma brucei	beta tubulin	0.0026	0.1176	0.336
Trichomonas vaginalis	tubulin alpha chain, putative	0.0026	0.1176	0.336
Leishmania major	alpha tubulin	0.0048	0.35	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0084	0.729	0.6928
Trypanosoma brucei	beta tubulin	0.0026	0.1176	0.336
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1025	0.0254
Echinococcus granulosus	Tubulin alpha 1 chain	0.0048	0.35	0.2634
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0035	0.2124	0.1075
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0048	0.35	0.2634
Schistosoma mansoni	alpha tubulin	0.0048	0.35	0.3951
Schistosoma mansoni	tubulin subunit alpha	0.0048	0.35	0.3951
Trypanosoma brucei	beta tubulin	0.0026	0.1176	0.336
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0037	0.2324	0.664
Trichomonas vaginalis	tubulin beta chain, putative	0.0048	0.35	1
Schistosoma mansoni	tubulin subunit beta	0.0026	0.1176	0.0241
Loa Loa (eye worm)	tubulin alpha 2	0.0037	0.2324	0.1664
Echinococcus granulosus	carboxylesterase 5A	0.0067	0.5585	0.4997
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0035	0.2209	0.2209
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0026	0.1176	0.336
Echinococcus granulosus	tubulin alpha 3 chain	0.0048	0.35	0.2634
Trypanosoma brucei	beta tubulin	0.0026	0.1176	0.336
Leishmania major	alpha tubulin	0.0048	0.35	1
Echinococcus multilocularis	carboxylesterase 5A	0.0067	0.5585	0.4997
Trypanosoma cruzi	alpha tubulin, putative	0.0048	0.35	1
Schistosoma mansoni	tubulin subunit gamma	0.0026	0.1176	0.0241
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0048	0.35	0.2634
Leishmania major	alpha tubulin	0.0048	0.35	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0048	0.35	0.2634
Loa Loa (eye worm)	tubulin alpha chain	0.0048	0.35	0.2941
Schistosoma mansoni	alpha tubulin	0.0048	0.35	0.3951
Trichomonas vaginalis	tubulin beta chain, putative	0.0048	0.35	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0035	0.2209	0.1539
Schistosoma mansoni	alpha tubulin	0.0048	0.35	0.3951
Entamoeba histolytica	tubulin alpha chain, putative	0.0048	0.35	1
Echinococcus multilocularis	tubulin alpha chain	0.0048	0.35	0.2634
Schistosoma mansoni	tubulin subunit alpha	0.0048	0.35	0.3951
Schistosoma mansoni	tubulin subunit beta	0.0026	0.1176	0.0241
Echinococcus granulosus	Tubulin alpha 1 chain	0.0048	0.35	0.2634
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0084	0.729	0.6928
Leishmania major	alpha tubulin	0.0048	0.35	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2324	0.1664
Brugia malayi	Tubulin alpha chain	0.0048	0.35	0.35
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.2124	0.1755
Leishmania major	alpha tubulin	0.0048	0.35	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0048	0.35	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0026	0.1176	0.0418
Echinococcus granulosus	acetylcholinesterase	0.0067	0.5585	0.4997
Loa Loa (eye worm)	tubulin gamma chain	0.0026	0.1176	0.0418
Trypanosoma brucei	epsilon tubulin	0.0026	0.1176	0.336
Loa Loa (eye worm)	carboxylesterase	0.0067	0.5585	0.5206
Brugia malayi	alpha-tubulin	0.0048	0.35	0.35
Loa Loa (eye worm)	acetylcholinesterase 1	0.0067	0.5585	0.5206
Echinococcus granulosus	tubulin alpha 1C chain	0.0048	0.35	0.2634
Plasmodium falciparum	alpha tubulin 2	0.0048	0.35	1
Echinococcus multilocularis	tubulin alpha chain	0.0048	0.35	0.2634
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0035	0.2124	0.1075
Echinococcus multilocularis	tubulin subunit TubB	0.0048	0.35	0.2634
Echinococcus multilocularis	tubulin alpha chain	0.0048	0.35	0.2634
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0033	0.1968	0.1277
Trichomonas vaginalis	tubulin gamma chain, putative	0.0026	0.1176	0.336
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0067	0.5585	0.7279
Brugia malayi	Tubulin alpha-2 chain	0.0048	0.35	0.35
Echinococcus multilocularis	tubulin alpha chain	0.0048	0.35	0.2634
Echinococcus multilocularis	tubulin alpha 3 chain	0.0048	0.35	0.2634
Loa Loa (eye worm)	hypothetical protein	0.0035	0.2209	0.1539
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.2124	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0109	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0035	0.2124	0.2124
Echinococcus granulosus	tubulin subunit TubB	0.0048	0.35	0.2634
Echinococcus granulosus	tubulin alpha chain	0.0048	0.35	0.2634
Loa Loa (eye worm)	BEN-1 protein	0.0026	0.1176	0.0418
Loa Loa (eye worm)	BEN-1 protein	0.0026	0.1176	0.0418
Echinococcus granulosus	tubulin alpha chain	0.0048	0.35	0.2634
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0048	0.35	1
Trypanosoma brucei	epsilon tubulin	0.0026	0.1176	0.336
Onchocerca volvulus		0.0015	0	0.5
Toxoplasma gondii	alpha-tubulin I, putative	0.0048	0.35	1
Schistosoma mansoni	tubulin subunit beta	0.0026	0.1176	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1968	0.1277
Plasmodium falciparum	alpha tubulin 1	0.0048	0.35	1
Loa Loa (eye worm)	hypothetical protein	0.0109	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0035	0.2124	0.1075
Echinococcus multilocularis	tubulin alpha 1C chain	0.0048	0.35	0.2634
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0035	0.2124	0.1447
Echinococcus granulosus	tubulin alpha chain	0.0048	0.35	0.2634
Echinococcus multilocularis	muscleblind protein 1	0.0109	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0048	0.35	1
Schistosoma mansoni	tubulin subunit epsilon	0.0026	0.1176	0.0241
Schistosoma mansoni	tubulin subunit beta	0.0026	0.1176	0.0241
Echinococcus multilocularis	acetylcholinesterase	0.0067	0.5585	0.4997
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0037	0.2324	0.1664
Loa Loa (eye worm)	hypothetical protein	0.0067	0.5585	0.5206
Brugia malayi	Carboxylesterase family protein	0.0067	0.5585	0.5585
Echinococcus granulosus	tubulin alpha 1C chain	0.0048	0.35	0.2634
Leishmania major	alpha tubulin	0.0048	0.35	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0026	0.1176	0.336
Trichomonas vaginalis	tubulin beta chain, putative	0.0048	0.35	1
Brugia malayi	tubulin alpha chain - mouse	0.0048	0.35	0.35
Schistosoma mansoni	tubulin subunit beta	0.0026	0.1176	0.0241
Loa Loa (eye worm)	tubulin alpha 2	0.0037	0.2324	0.1664
Brugia malayi	Carboxylesterase family protein	0.0067	0.5585	0.5585
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0048	0.35	1
Brugia malayi	Tubulin gamma chain	0.0026	0.1176	0.1176
Giardia lamblia	Alpha-tubulin	0.0048	0.35	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0048	0.35	1
Loa Loa (eye worm)	tubulin alpha chain	0.0048	0.35	0.2941
Brugia malayi	Tubulin beta-1 chain	0.0026	0.1176	0.1176
Trypanosoma brucei	beta tubulin	0.0026	0.1176	0.336
Leishmania major	alpha tubulin	0.0048	0.35	1
Echinococcus multilocularis	acetylcholinesterase	0.0067	0.5585	0.4997
Trypanosoma brucei	epsilon tubulin	0.0026	0.1176	0.336
Loa Loa (eye worm)	tubulin beta-4 chain	0.0026	0.1176	0.0418
Trypanosoma brucei	alpha tubulin	0.0048	0.35	1
Echinococcus multilocularis	muscleblind protein	0.0109	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0048	0.35	1
Trypanosoma brucei	alpha tubulin	0.0048	0.35	1
Leishmania major	alpha tubulin	0.0048	0.35	1
Schistosoma mansoni	lipoxygenase	0.0058	0.4635	0.5762
Schistosoma mansoni	tubulin subunit beta	0.0026	0.1176	0.0241
Brugia malayi	Tubulin alpha-2 chain	0.0048	0.35	0.35

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10 nM	Inhibition of IRAK4 (unknown origin)	ChEMBL.	18501603
IC50 (binding)	= 10 nM	Inhibition of IRAK4 (unknown origin)	ChEMBL.	18501603

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 509411