TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 388.848 | Formula: C19H21ClN4O3
H donors: 1 H acceptors: 3 LogP: 3.58 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1C)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+](=O)[O-]
InChi: 1S/C19H21ClN4O3/c1-13-12-23(10-9-22(13)2)18-8-7-14(24(26)27)11-17(18)21-19(25)15-5-3-4-6-16(15)20/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,25)
InChiKey: FPXFGQWJDCLQGG-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	WD repeat domain 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	WD repeat domain, putative	Get druggable targets OG5_128632	All targets in OG5_128632
Candida albicans	WD40 repeat protein similar to S. cerevisiae SWD3 (YBR175W) COMPASS histone methyltransferase complex component	Get druggable targets OG5_128632	All targets in OG5_128632
Loa Loa (eye worm)	WD40 repeat protein	Get druggable targets OG5_128632	All targets in OG5_128632
Candida albicans	WD40 repeat protein similar to S. cerevisiae SWD3 (YBR175W) COMPASS histone methyltransferase complex component	Get druggable targets OG5_128632	All targets in OG5_128632
Echinococcus multilocularis	protein will die slowly	Get druggable targets OG5_128632	All targets in OG5_128632
Echinococcus granulosus	protein will die slowly	Get druggable targets OG5_128632	All targets in OG5_128632
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_128632	All targets in OG5_128632
Brugia malayi	Will die slowly protein	Get druggable targets OG5_128632	All targets in OG5_128632
Schistosoma japonicum	WD repeat-containing protein 5, putative	Get druggable targets OG5_128632	All targets in OG5_128632
Onchocerca volvulus		Get druggable targets OG5_128632	All targets in OG5_128632

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	U4/U6 small nuclear ribonucleoprotein PRP4, putative	WD repeat domain 5	334 aa	334 aa	21.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0483	0.0099	0.0116
Schistosoma mansoni	serine/threonine-protein kinase	0.948	0.6656	1
Schistosoma mansoni	dynamin	0.0381	0.0026	0.0038
Echinococcus granulosus	nervana 2	0.8997	0.6304	0.947
Onchocerca volvulus		0.0381	0.0026	0.5
Brugia malayi	Hr1 repeat family protein	0.4691	0.3166	0.3148
Schistosoma mansoni	hypothetical protein	0.0381	0.0026	0.0038
Entamoeba histolytica	protein kinase, putative	0.0483	0.0099	0.0074
Echinococcus granulosus	NDR protein kinase	0.4691	0.3166	0.4736
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0381	0.0026	0.0038
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.4691	0.3166	0.3148
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.948	0.6656	1
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0483	0.0099	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.4691	0.3166	0.3148
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Giardia lamblia	Kinase, AGC PKA	0.9098	0.6378	0.5
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.4691	0.3166	0.4736
Trichomonas vaginalis	AGC family protein kinase	0.5072	0.3444	0.3427
Trichomonas vaginalis	AGC family protein kinase	1.4069	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trypanosoma cruzi	NIMA-related kinase, putative	0.0483	0.0099	0.0111
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.9098	0.6378	0.9581
Schistosoma mansoni	goodpasture antigen-binding protein	0.0381	0.0026	0.0038
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.4691	0.3166	0.3148
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0483	0.0099	0.0074
Entamoeba histolytica	protein kinase 2, putative	0.9098	0.6378	0.6368
Schistosoma mansoni	guanyl-nucleotide exchange factor	0.0381	0.0026	0.0038
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0483	0.0099	0.0074
Entamoeba histolytica	protein kinase, putative	0.0483	0.0099	0.0074
Loa Loa (eye worm)	AGC/AKT protein kinase	1.4069	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Schistosoma mansoni	oxysterol-binding protein 1	0.0381	0.0026	0.0038
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0483	0.0099	0.0074
Echinococcus multilocularis	Glutaredoxin protein 5	0.8997	0.6304	0.947
Entamoeba histolytica	protein kinase, putative	0.4691	0.3166	0.3148
Entamoeba histolytica	protein kinase, putative	0.0483	0.0099	0.0074
Trypanosoma cruzi	NIMA-related kinase, putative	0.0483	0.0099	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trypanosoma brucei	protein kinase, putative	0.0483	0.0099	0.0074
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0483	0.0099	0.0111
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.4691	0.3166	0.3148
Schistosoma mansoni	serine/threonine protein kinase	0.4691	0.3166	0.4756
Schistosoma mansoni	hypothetical protein	0.0381	0.0026	0.0038
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.4691	0.3166	0.4736
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.9098	0.6378	1
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.9098	0.6378	0.9581
Leishmania major	protein kinase, putative	0.0483	0.0099	1
Onchocerca volvulus		0.0381	0.0026	0.5
Brugia malayi	protein kinase C II.	0.4691	0.3166	0.3148
Brugia malayi	Protein kinase domain containing protein	0.4691	0.3166	0.3148
Trichomonas vaginalis	AGC family protein kinase	0.4691	0.3166	0.3148
Schistosoma mansoni	serine/threonine protein kinase	0.4691	0.3166	0.4756
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0483	0.0099	0.0074
Echinococcus granulosus	protein kinase C gamma type	0.4691	0.3166	0.4736
Entamoeba histolytica	protein kinase, putative	0.0483	0.0099	0.0074
Brugia malayi	p70 ribosomal S6 kinase beta	1.3688	0.9722	0.9721
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0483	0.0099	0.0074
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0483	0.0099	0.0111
Loa Loa (eye worm)	hypothetical protein	0.4691	0.3166	0.3148
Onchocerca volvulus	Abnormal cell migration protein 10 homolog	0.0381	0.0026	0.5
Trichomonas vaginalis	AGC family protein kinase	0.4691	0.3166	0.3148
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.8997	0.6304	0.947
Schistosoma mansoni	hypothetical protein	0.0381	0.0026	0.0038
Echinococcus granulosus	serine/threonine protein kinase	0.948	0.6656	1
Leishmania major	protein kinase, putative	0.0483	0.0099	1
Echinococcus multilocularis	nervana 2	0.8997	0.6304	0.947
Schistosoma mansoni	serine/threonine protein kinase	0.4691	0.3166	0.4756
Entamoeba histolytica	protein kinase, putative	1.4069	1	1
Schistosoma mansoni	zinc finger protein	0.0381	0.0026	0.0038
Onchocerca volvulus	Putative zinc finger protein	0.0381	0.0026	0.5
Trichomonas vaginalis	AGC family protein kinase	1.4069	1	1
Schistosoma mansoni	serine/threonine kinase	0.4691	0.3166	0.4756
Schistosoma mansoni	serine/threonine protein kinase	0.4691	0.3166	0.4756
Schistosoma mansoni	myotubularin-related protein	0.0381	0.0026	0.0038
Schistosoma mansoni	oxysterol-binding protein 1	0.0381	0.0026	0.0038
Echinococcus granulosus	protein kinase c epsilon type	0.4691	0.3166	0.4736
Echinococcus multilocularis	serine:threonine protein kinase 38	0.4691	0.3166	0.4736
Schistosoma mansoni	serine/threonine protein kinase	0.4691	0.3166	0.4756
Onchocerca volvulus	Putative neuronal RhoA GEF protein	0.0381	0.0026	0.5
Echinococcus multilocularis	serine:threonine protein kinase N2	0.4691	0.3166	0.4736
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.4691	0.3166	0.4736
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0483	0.0099	0.0074
Schistosoma mansoni	goodpasture antigen-binding protein	0.0381	0.0026	0.0038
Echinococcus granulosus	nervana 2	0.8997	0.6304	0.947
Trichomonas vaginalis	AGC family protein kinase	1.4069	1	1
Onchocerca volvulus	outspread protein homolog	0.0381	0.0026	0.5
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.9098	0.6378	1
Echinococcus granulosus	serine threonine protein kinase nrc	0.9098	0.6378	0.9581
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	1.3688	0.9722	0.9721
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0483	0.0099	0.0116
Onchocerca volvulus		0.0381	0.0026	0.5
Echinococcus granulosus	Protein kinase C brain isozyme	0.4691	0.3166	0.4736
Schistosoma mansoni	zinc finger protein	0.0381	0.0026	0.0038
Echinococcus multilocularis	serine:threonine protein kinase N2	0.4691	0.3166	0.4736
Onchocerca volvulus		0.0381	0.0026	0.5
Schistosoma mansoni	hypothetical protein	0.0381	0.0026	0.0038
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Schistosoma mansoni	hypothetical protein	0.0381	0.0026	0.0038
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0483	0.0099	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trypanosoma cruzi	Protein kinase B	0.948	0.6656	1
Entamoeba histolytica	protein kinase, putative	0.0483	0.0099	0.0074
Entamoeba histolytica	PH domain containing protein kinase, putative	0.948	0.6656	0.6647
Schistosoma mansoni	syntrophin	0.0381	0.0026	0.0038
Onchocerca volvulus	Protein melted homolog	0.0381	0.0026	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.4691	0.3166	0.4736
Trichomonas vaginalis	AGC family protein kinase	1.4069	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0483	0.0099	0.0111
Trichomonas vaginalis	AGC family protein kinase	1.4069	1	1
Echinococcus multilocularis	protein kinase c epsilon type	0.4691	0.3166	0.4736
Entamoeba histolytica	hypothetical protein	0.0483	0.0099	0.0074
Leishmania major	folate/biopterin transporter, putative	0.0483	0.0099	1
Schistosoma mansoni	phosphoinositol 4-phosphate adaptor protein	0.0381	0.0026	0.0038
Entamoeba histolytica	protein kinase, putative	1.4069	1	1
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0483	0.0099	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Entamoeba histolytica	PH domain containing protein kinase, putative	0.948	0.6656	0.6647
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0483	0.0099	0.0111
Echinococcus granulosus	protein kinase c iota type	0.4691	0.3166	0.4736
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0483	0.0099	0.0074
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0483	0.0099	1
Schistosoma mansoni	dynamin	0.0381	0.0026	0.0038
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.4691	0.3166	0.4736
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0483	0.0099	1
Trichomonas vaginalis	AGC family protein kinase	1.4069	1	1
Toxoplasma gondii	AGC kinase	1.3688	0.9722	1
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Echinococcus multilocularis	nervana 2	0.8997	0.6304	0.947
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0483	0.0099	0.0074
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.4691	0.3166	0.3148
Toxoplasma gondii	protein kinase domain-containing protein	0.0483	0.0099	0.0076
Entamoeba histolytica	protein kinase, putative	1.3688	0.9722	0.9721
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.459	0.3092	0.3074
Echinococcus multilocularis	serine threonine protein kinase	0.4691	0.3166	0.4736
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0483	0.0099	0.0111
Schistosoma mansoni	centaurin alpha	0.0381	0.0026	0.0038
Trichomonas vaginalis	AGC family protein kinase	1.4069	1	1
Schistosoma mansoni	vav2	0.0381	0.0026	0.0038
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.9098	0.6378	0.9581
Onchocerca volvulus		0.0381	0.0026	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Echinococcus granulosus	Glutaredoxin protein 5	0.8997	0.6304	0.947
Echinococcus granulosus	serine:threonine protein kinase N2	0.4691	0.3166	0.4736
Entamoeba histolytica	hypothetical protein	0.0483	0.0099	0.0074
Schistosoma mansoni	rho gtpase activating protein	0.0381	0.0026	0.0038
Schistosoma mansoni	serine/threonine protein kinase	0.4691	0.3166	0.4756
Onchocerca volvulus		0.0381	0.0026	0.5
Loa Loa (eye worm)	AGC/PKN protein kinase	0.4691	0.3166	0.3148
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0483	0.0099	0.0076
Echinococcus multilocularis	protein kinase c iota type	0.4691	0.3166	0.4736
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0483	0.0099	0.0111
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.4691	0.3166	0.4736
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.4691	0.3166	0.4736
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.0381	0.0026	0.0038
Echinococcus multilocularis	rac serine:threonine kinase	0.948	0.6656	1
Onchocerca volvulus		0.0381	0.0026	0.5
Entamoeba histolytica	p21-activated kinase	0.0483	0.0099	0.0074
Schistosoma mansoni	serine/threonine protein kinase	0.4691	0.3166	0.4756
Schistosoma mansoni	serine/threonine-protein kinase	0.948	0.6656	1
Trypanosoma brucei	rac serine-threonine kinase, putative	1.4069	1	1
Schistosoma mansoni	atypical protein kinase C	0.4691	0.3166	0.4756
Brugia malayi	Protein kinase domain containing protein	0.4691	0.3166	0.3148
Leishmania major	serine/threonine-protein kinase a, putative	0.0483	0.0099	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0381	0.0026	0.0038
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.8997	0.6304	0.947
Trichomonas vaginalis	AGC family protein kinase	0.0483	0.0099	0.0074
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0483	0.0099	0.0111
Loa Loa (eye worm)	AGC/NDR protein kinase	0.4691	0.3166	0.3148

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 4.7 uM	Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by fluorescence polarization assay	ChEMBL.	24900672

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: CHEMBL2337034

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 1733353