TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 373.426 | Formula: C18H19N3O4S
H donors: 2 H acceptors: 4 LogP: 2.9 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCOC(=O)/C(=c/1\s/c(=C/Nc2ccc(cc2)O)/c(=O)n1CC)/C#N
InChi: 1S/C18H19N3O4S/c1-3-9-25-18(24)14(10-19)17-21(4-2)16(23)15(26-17)11-20-12-5-7-13(22)8-6-12/h5-8,11,20,22H,3-4,9H2,1-2H3/b15-11+,17-14-
InChiKey: CBSGBZLWOKWSDJ-IQOWBAITSA-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 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	CAMK family 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
Leishmania infantum	protein kinase, putative,polo-like 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
Trichomonas vaginalis	CAMK family 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
Onchocerca volvulus	Serine\/threonine kinase homolog	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
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
Trypanosoma cruzi	polo-like protein kinase, 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
Echinococcus granulosus	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
Entamoeba histolytica	serine/threonine protein kinase, putative	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
Schistosoma japonicum	ko:K06631 polo-like kinase 1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Giardia lamblia	Kinase, PLK	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
Trichomonas vaginalis	CAMK family protein 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
Trichomonas vaginalis	CAMK family 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
Trypanosoma congolense	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
Loa Loa (eye worm)	PLK/PLK1 protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	serine:threonine protein kinase PLK1	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
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
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0068	0.1179	0.1179
Echinococcus multilocularis	GPCR, family 2	0.0068	0.1179	0.1179
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0704	0.0704
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0121	0.0121
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0121	0.0112
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0018	0.0121	0.0112
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0121	0.0121
Echinococcus multilocularis	ras GTP exchange factor	0.0013	0.001	0.001
Onchocerca volvulus		0.0018	0.0121	0.0146
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0114	0.2171	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0121	0.0121
Echinococcus granulosus	Smad4	0.0019	0.013	0.013
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0214	0.4303	0.4297
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0704	0.0695
Brugia malayi	MH2 domain containing protein	0.0019	0.013	0.012
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.037	0.7633	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.2171	0.5803
Echinococcus granulosus	gamma secretase subunit aph 1	0.048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0121	0.0112
Schistosoma mansoni	z-protein (S1r protein)	0.0018	0.0121	0.0121
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0013	0.001	0.001
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0018	0.0121	0.0146
Brugia malayi	MH1 domain containing protein	0.0019	0.013	0.012
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.2171	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0121	0.0112
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0018	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.037	0.7633	0.7631
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0121	0.0112
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0019	0.013	0.013
Brugia malayi	latrophilin 2 splice variant baaae	0.0146	0.2857	0.285
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0121	0.0121
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0114	0.2171	0.2171
Loa Loa (eye worm)	hypothetical protein	0.0146	0.2857	0.285
Echinococcus granulosus	rap guanine nucleotide exchange factor 1	0.0013	0.001	0.001
Loa Loa (eye worm)	MH2 domain-containing protein	0.0019	0.013	0.012
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0121	0.0121
Brugia malayi	MH1 domain containing protein	0.0019	0.013	0.012
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0704	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0329	0.0319
Brugia malayi	RNA binding protein	0.0388	0.8033	0.8031
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0013	0.001	0.001
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.2171	0.5803
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0068	0.1179	0.1179
Loa Loa (eye worm)	TAR-binding protein	0.0388	0.8033	0.8031
Echinococcus granulosus	rap guanine nucleotide exchange factor 6	0.0013	0.001	0.001
Schistosoma mansoni	smad1 5 8 and	0.0019	0.013	0.013
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0704	0.0704
Trypanosoma cruzi	Aph-1 protein, putative	0.0187	0.3733	1
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.8033	0.8033
Brugia malayi	MH2 domain containing protein	0.0273	0.5559	0.5555
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4303	0.4297
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0939	0.4302
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0939	0.4302
Echinococcus multilocularis	gamma secretase subunit aph 1	0.048	1	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0018	0.0121	0.0121
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0019	0.013	0.013
Schistosoma mansoni	smad	0.0019	0.013	0.013
Schistosoma mansoni	hypothetical protein	0.0068	0.1179	0.1179
Loa Loa (eye worm)	RNA binding protein	0.0388	0.8033	0.8031
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0114	0.2171	0.2171
Trypanosoma cruzi	Aph-1 protein, putative	0.0187	0.3733	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0121	0.0121
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0121	0.0121
Echinococcus granulosus	Protein son of sevenless	0.0013	0.001	0.001
Schistosoma mansoni	dep domain containing protein	0.0018	0.0121	0.0121
Schistosoma mansoni	dishevelled	0.0018	0.0121	0.0121
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0068	0.1179	0.1179
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0329	0.0857
Schistosoma mansoni	hypothetical protein	0.0068	0.1179	0.1179
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0329	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0329	0.0857
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.2171	1
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.8033	0.8033
Brugia malayi	N-terminal motif family protein	0.037	0.7633	0.7631
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.8033	0.8033
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0114	0.2171	1
Schistosoma mansoni	hypothetical protein	0.0146	0.2857	0.2857
Brugia malayi	hypothetical protein	0.0018	0.0118	0.0108
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0018	0.0121	0.0121
Schistosoma mansoni	ras GTP exchange factor	0.0013	0.001	0.001
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.2171	1
Brugia malayi	MH2 domain containing protein	0.0019	0.013	0.012
Echinococcus granulosus	tar DNA binding protein	0.0388	0.8033	0.8033
Brugia malayi	hypothetical protein	0.0018	0.0121	0.0112
Echinococcus multilocularis	Protein son of sevenless	0.0013	0.001	0.001
Trypanosoma brucei	Aph-1 protein, putative	0.0187	0.3733	1
Brugia malayi	TAR-binding protein	0.0388	0.8033	0.8031
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.2171	1
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.048	1	1
Echinococcus granulosus	smad	0.0019	0.013	0.013
Schistosoma mansoni	smad1 5 8 and	0.0019	0.013	0.013
Schistosoma mansoni	serine/threonine protein kinase	0.0114	0.2171	0.2171
Schistosoma mansoni	hypothetical protein	0.0068	0.1179	0.1179
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0019	0.013	0.013
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0329	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0704	0.0704
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.2171	1
Schistosoma mansoni	kinase	0.0058	0.0972	0.0972
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0068	0.1179	0.1179
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0068	0.1179	0.117
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0013	0.001	0.001
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0329	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0019	0.013	0.013
Loa Loa (eye worm)	MH1 domain-containing protein	0.0019	0.013	0.012
Trypanosoma brucei	polo-like protein kinase	0.0114	0.2171	0.541
Brugia malayi	serine/threonine-protein kinase plk-2	0.0114	0.2171	0.2163
Brugia malayi	hypothetical protein	0.0018	0.0121	0.0112
Echinococcus multilocularis	rap guanine nucleotide exchange factor 1	0.0013	0.001	0.001
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0704	0.0704
Echinococcus granulosus	GPCR family 2	0.0068	0.1179	0.1179
Loa Loa (eye worm)	Smad1	0.0019	0.013	0.012
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0121	0.0121
Brugia malayi	DIX domain containing protein	0.0018	0.0121	0.0112
Echinococcus granulosus	ras GTP exchange factor	0.0013	0.001	0.001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0704	0.0704
Brugia malayi	Smad1	0.0019	0.013	0.012
Schistosoma mansoni	regulator of G protein signaling	0.0018	0.0121	0.0121
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0019	0.013	0.013
Schistosoma mansoni	Smad4	0.0019	0.013	0.013
Brugia malayi	hypothetical protein	0.0028	0.0329	0.0319
Echinococcus multilocularis	tar DNA binding protein	0.0388	0.8033	0.8033
Echinococcus multilocularis	Smad4	0.0019	0.013	0.013
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0388	0.8033	0.8031
Brugia malayi	regulator of G-protein signaling egl-10	0.0018	0.0121	0.0112
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0114	0.2171	0.2835
Echinococcus granulosus	son of sevenless 1	0.0013	0.001	0.001
Schistosoma mansoni	hypothetical protein	0.0068	0.1179	0.1179
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0013	0.001	0.001
Schistosoma mansoni	smad1 5 8 and	0.0019	0.013	0.013
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.2171	1
Echinococcus multilocularis	rap guanine nucleotide exchange factor 6	0.0013	0.001	0.001
Schistosoma mansoni	gamma-secretase subunit aph-1	0.048	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0068	0.1179	0.117
Loa Loa (eye worm)	transcription factor SMAD2	0.0273	0.5559	0.5555
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.8033	0.8033
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0068	0.1179	0.117
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0704	0.0704
Schistosoma mansoni	tar DNA-binding protein	0.0388	0.8033	0.8033
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0114	0.2171	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1179	0.117
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0704	0.0695
Brugia malayi	RNA recognition motif domain containing protein	0.0388	0.8033	0.8031
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0121	0.0112
Loa Loa (eye worm)	MH2 domain-containing protein	0.0273	0.5559	0.5555
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0329	0.5
Schistosoma mansoni	dishevelled	0.0018	0.0121	0.0121
Echinococcus multilocularis	smad	0.0019	0.013	0.013
Loa Loa (eye worm)	DIX domain-containing protein	0.0018	0.0121	0.0112
Giardia lamblia	Kinase, PLK	0.0114	0.2171	0.5
Echinococcus multilocularis	son of sevenless 1	0.0013	0.001	0.001
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.2171	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0214	0.4303	0.4297
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0214	0.4303	0.4297

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.036 uM	Inhibition of PLK1	ChEMBL.	18762425

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: CHEMBL477615

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 978213