TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.025 | Formula: C25H27ClN4O3S
H donors: 1 H acceptors: 2 LogP: 5.18 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCOc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1Cl)C)C
InChi: 1S/C25H27ClN4O3S/c1-16(18-7-4-5-8-19(18)26)33-22-14-23(34-24(22)25(27)31)30-15-28-20-10-9-17(13-21(20)30)32-12-6-11-29(2)3/h4-5,7-10,13-16H,6,11-12H2,1-3H3,(H2,27,31)/t16-/m1/s1
InChiKey: MOSNATYSIYEVTF-MRXNPFEDSA-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	polo-like kinase 3	Starlite/ChEMBL	References
Homo sapiens	polo-like kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania braziliensis	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	PLK/PLK1 protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma brucei gambiense	polo-like protein kinase,protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma brucei	polo-like protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	Serine/threonine-protein kinase PLK1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	ko:K06631 polo-like kinase 1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus granulosus	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Giardia lamblia	Kinase, PLK	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania infantum	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Entamoeba histolytica	serine/threonine protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Brugia malayi	serine/threonine-protein kinase plk-2	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania mexicana	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Onchocerca volvulus	Serine\/threonine kinase homolog	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396

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
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	glucose transporter, putative	0.0848	0.3654	1
Brugia malayi	Major Facilitator Superfamily protein	0.0848	0.3654	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0228	0.0573	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Leishmania major	myo-inositol/proton symporter (MIT)	0.0848	0.3654	1
Giardia lamblia	Hexose transporter	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0848	0.3654	0.3533
Echinococcus granulosus	solute carrier family 22	0.0848	0.3654	0.3533
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 22	0.0848	0.3654	1
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0848	0.3654	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0848	0.3654	0.3533
Brugia malayi	major facilitator superfamily protein	0.0848	0.3654	1
Leishmania major	glucose transporter, lmgt1	0.0848	0.3654	1
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0848	0.3654	0.5
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0848	0.3654	0.5
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Mycobacterium ulcerans	integral membrane transport protein	0.0848	0.3654	0.5
Onchocerca volvulus		0.0848	0.3654	1
Trypanosoma cruzi	hexose transporter, putative	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Giardia lamblia	Sugar-proton symporter	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Schistosoma mansoni	sugar transporter	0.0848	0.3654	1
Trypanosoma cruzi	hexose transporter, putative	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	CAMK family protein kinase	0.0228	0.0573	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0848	0.3654	1
Trypanosoma cruzi	hexose transporter, putative	0.0848	0.3654	1
Onchocerca volvulus	Putative transporter	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Brugia malayi	hypothetical protein	0.0848	0.3654	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0228	0.0573	0.111
Trichomonas vaginalis	CAMK family protein kinase	0.0228	0.0573	0.1567
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0228	0.0573	0.0392
Leishmania major	hypothetical protein, conserved	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Echinococcus granulosus	solute carrier family 22	0.0848	0.3654	0.3533
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Schistosoma mansoni	glucose transport protein	0.0848	0.3654	1
Mycobacterium ulcerans	sugar transporter	0.0848	0.3654	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0228	0.0573	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0848	0.3654	0.5
Brugia malayi	serine/threonine-protein kinase plk-2	0.0228	0.0573	0.1207
Echinococcus granulosus	synaptic vesicle 2 protein	0.0848	0.3654	0.3533
Schistosoma mansoni	sugar transporter	0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0848	0.3654	1
Schistosoma mansoni	serine/threonine protein kinase	0.0228	0.0573	0.1532
Trypanosoma brucei	glucose transporter 1E	0.0848	0.3654	1
Trichomonas vaginalis	CAMK family protein kinase	0.0228	0.0573	0.1567
Trichomonas vaginalis	glucose transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Toxoplasma gondii	sugar transporter ST3	0.0848	0.3654	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Schistosoma mansoni	glucose transport protein	0.0848	0.3654	1
Brugia malayi	major facilitator superfamily protein	0.0848	0.3654	1
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0848	0.3654	0.3533
Schistosoma mansoni	glucose transport protein	0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 22	0.0848	0.3654	1
Schistosoma mansoni	sugar transporter	0.0848	0.3654	1
Brugia malayi	Sugar transporter family protein	0.0848	0.3654	1
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0848	0.3654	1
Schistosoma mansoni	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Brugia malayi	Sugar transporter family protein	0.0848	0.3654	1
Toxoplasma gondii	transporter, major facilitator family protein	0.0848	0.3654	0.5
Toxoplasma gondii	sugar transporter ST2	0.0848	0.3654	0.5
Trypanosoma brucei	sugar transporter, putative	0.0848	0.3654	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Plasmodium falciparum	hexose transporter	0.0848	0.3654	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Schistosoma mansoni	glucose transporter	0.0848	0.3654	1
Toxoplasma gondii	sugar transporter ST1	0.0848	0.3654	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0228	0.0573	0.1567
Onchocerca volvulus		0.0848	0.3654	1
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0848	0.3654	0.5
Plasmodium vivax	hexose transporter	0.0848	0.3654	0.5
Trypanosoma cruzi	hexose transporter	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	CAMK family protein kinase	0.0228	0.0573	0.1567
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter, putative	0.0848	0.3654	1
Leishmania major	glucose transporter, lmgt2	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0848	0.3654	1
Leishmania major	glucose transporter, lmgt3	0.0848	0.3654	1
Brugia malayi	Major Facilitator Superfamily protein	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	CAMK family protein kinase	0.0228	0.0573	0.1567
Onchocerca volvulus		0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0848	0.3654	0.3533
Plasmodium vivax	sugar transporter, putative	0.0848	0.3654	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0848	0.3654	1
Trypanosoma brucei	glucose transporter 2A	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Brugia malayi	hypothetical protein	0.0848	0.3654	1
Echinococcus granulosus	solute carrier family 22	0.0848	0.3654	0.3533
Echinococcus granulosus	solute carrier family 22	0.0848	0.3654	0.3533
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	CAMK family protein kinase	0.0228	0.0573	0.1567
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Trypanosoma cruzi	hexose transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Trypanosoma cruzi	sugar transporter, putative	0.0848	0.3654	1
Trypanosoma cruzi	glucose transporter, putative	0.0848	0.3654	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	myo-inositol transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 22	0.0848	0.3654	1
Loa Loa (eye worm)	sugar transporter	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0848	0.3654	0.5
Trichomonas vaginalis	glucose transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	conserved hypothetical protein	0.0848	0.3654	1
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0848	0.3654	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0848	0.3654	1
Schistosoma mansoni	sugar transporter	0.0848	0.3654	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0848	0.3654	0.3533
Loa Loa (eye worm)	sugar transporter	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0848	0.3654	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0848	0.3654	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Trichomonas vaginalis	sugar transport protein, putative	0.0848	0.3654	1
Brugia malayi	Sugar transporter family protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0848	0.3654	1
Echinococcus multilocularis	solute carrier family 22	0.0848	0.3654	1
Brugia malayi	hypothetical protein	0.0848	0.3654	1
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0228	0.0573	0.111
Trichomonas vaginalis	sugar transporter, putative	0.0848	0.3654	1
Onchocerca volvulus		0.0848	0.3654	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4 nM	Inhibition of human PLK1 kinase domain expressed in baculovirus-infected Trichoplusia ni cells by scintillation proximity assay	ChEMBL.	19237286
IC50 (functional)	= 32 nM	Antiproliferative activity against human HCT116 cells after 72 hrs by luminescence-based cell viability assay	ChEMBL.	19237286
IC50 (binding)	= 460 nM	Inhibition of full length human PLK3 expressed in baculovirus-infected Trichoplusia ni cells by scintillation proximity assay	ChEMBL.	19237286
PPB (ADMET)	= 97.4 %	Protein binding in human plasma at 2000 ng/mL after 6 hrs by equilibrium dialysis method	ChEMBL.	19237286

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19237286

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: CHEMBL1964261

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 1622848