TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 369.391 | Formula: C19H15NO5S
H donors: 1 H acceptors: 5 LogP: 2.96 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c(C)nc(c2c1C(=O)C=C(C2=O)Sc1ccc(cc1)O)C
InChi: 1S/C19H15NO5S/c1-9-15-17(16(10(2)20-9)19(24)25-3)13(22)8-14(18(15)23)26-12-6-4-11(21)5-7-12/h4-8,21H,1-3H3
InChiKey: GXQRFFAQBNCSRE-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

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
Trichomonas vaginalis	CMGC family protein kinase	0.0068	0.019	0.0025
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0439	0.2103	0.1971
Trypanosoma cruzi	casein kinase II, putative	0.1967	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0064	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0856	0.0856
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0064	0.0165	0.0165
Leishmania major	casein kinase II, putative	0.1967	1	1
Giardia lamblia	Kinase, CMGC CK2	0.1967	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0077	0.0236	0.0236
Schistosoma mansoni	serine/threonine protein kinase	0.0219	0.0967	0.0967
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0068	0.019	0.0025
Toxoplasma gondii	ck2 beta subunit	0.0439	0.2103	0.2103
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0077	0.0236	0.0236
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0068	0.019	0.019
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0064	0.0165	0.0165
Trichomonas vaginalis	CMGC family protein kinase	0.1967	1	1
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0128	0.0499	0.0339
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0068	0.019	0.019
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0439	0.2103	0.1971
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0439	0.2103	0.1971
Echinococcus multilocularis	death associated protein kinase 1	0.0922	0.4602	0.4602
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0439	0.2103	0.2103
Trichomonas vaginalis	CMGC family protein kinase	0.1967	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0249	0.1124	0.0975
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0178	0.0759	0.0759
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0068	0.019	0.019
Echinococcus granulosus	death associated protein kinase 1	0.0662	0.3259	0.3259
Entamoeba histolytica	hypothetical protein	0.0219	0.0967	0.0815
Echinococcus multilocularis	dual specificity	0.0249	0.1124	0.1124
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Entamoeba histolytica	protein kinase, putative	0.0249	0.1124	0.0975
Plasmodium falciparum	protein kinase 5	0.0064	0.0165	0.0165
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	CMGC family protein kinase	0.0068	0.019	0.0025
Giardia lamblia	Kinase, CMGC DYRK	0.0249	0.1124	0.0975
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Plasmodium falciparum	casein kinase II beta chain	0.0439	0.2103	0.2103
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0178	0.0759	0.0759
Schistosoma mansoni	protein kinase	0.1967	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.0209	0.0045
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0178	0.0759	0.0759
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.0209	0.0045
Trichomonas vaginalis	CMGC family protein kinase	0.1967	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0077	0.0236	0.0236
Echinococcus granulosus	dual specificity	0.0249	0.1124	0.1124
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.0272	0.0272
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0249	0.1124	0.1124
Trichomonas vaginalis	CMGC family protein kinase	0.0249	0.1124	0.0975
Brugia malayi	Protein kinase domain containing protein	0.0064	0.0165	0.0165
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0178	0.0759	0.0759
Echinococcus multilocularis	cyclin dependent kinase	0.0064	0.0165	0.0165
Echinococcus multilocularis	cyclin dependent kinase 1	0.0064	0.0165	0.0165
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0219	0.0967	0.0815
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.1967	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1967	1	1
Echinococcus granulosus	dual specificity	0.0249	0.1124	0.1124
Entamoeba histolytica	protein kinase domain containing protein	0.0068	0.019	0.0025
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0064	0.0165	0.0165
Echinococcus granulosus	cyclin dependent kinase	0.0064	0.0165	0.0165
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0064	0.0165	0.0165
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0249	0.1124	0.1124
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0249	0.1124	0.1124
Brugia malayi	Csnk2b protein	0.0439	0.2103	0.2103
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0219	0.0967	0.0815
Echinococcus granulosus	cyclin dependent kinase 5	0.0064	0.0165	0.0165
Giardia lamblia	Casein kinase II beta chain	0.0439	0.2103	0.1971
Schistosoma mansoni	serine/threonine protein kinase	0.0178	0.0759	0.0759
Trichomonas vaginalis	CMGC family protein kinase	0.0249	0.1124	0.0975
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	CMGC family protein kinase	0.1967	1	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0068	0.019	0.019
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0068	0.019	0.019
Plasmodium vivax	unspecified product	0.1967	1	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0068	0.019	0.019
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.0751	0.3715	0.3715
Giardia lamblia	Casein kinase II beta chain	0.0128	0.0499	0.0339
Plasmodium falciparum	casein kinase II beta chain	0.0439	0.2103	0.2103
Entamoeba histolytica	protein kinase, putative	0.0068	0.019	0.0025
Trichomonas vaginalis	CMGC family protein kinase	0.1967	1	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0219	0.0967	0.0967
Schistosoma mansoni	serine/threonine protein kinase	0.0751	0.3715	0.3715
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0068	0.019	0.0025
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Echinococcus multilocularis	casein kinase ii subunit beta	0.0439	0.2103	0.2103
Entamoeba histolytica	protein kinase domain containing protein	0.0751	0.3715	0.3609
Echinococcus granulosus	dual specificity	0.0219	0.0967	0.0967
Plasmodium falciparum	glycogen synthase kinase 3	0.0068	0.019	0.019
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0178	0.0759	0.0759
Echinococcus granulosus	casein kinase ii subunit alpha	0.1967	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0064	0.0165	0.0165
Echinococcus multilocularis	protein kinase shaggy	0.0068	0.019	0.019
Entamoeba histolytica	casein kinase, putative	0.1967	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0077	0.0236	0.0236
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0068	0.019	0.019
Entamoeba histolytica	protein kinase domain containing protein	0.1967	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1967	1	1
Brugia malayi	intracellular kinase	0.0068	0.019	0.019
Echinococcus multilocularis	dual specificity	0.0249	0.1124	0.1124
Trichomonas vaginalis	CMGC family protein kinase	0.0249	0.1124	0.0975
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.0751	0.3715	0.3715
Toxoplasma gondii	CMGC kinase, CK2 family	0.1967	1	1
Echinococcus multilocularis	casein kinase ii subunit alpha	0.1967	1	1
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0128	0.0499	0.0339
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0064	0.0165	0.0165
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0064	0.0165	0.0165
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.0751	0.3715	0.3715
Echinococcus granulosus	protein kinase shaggy	0.0068	0.019	0.019
Echinococcus multilocularis	cyclin dependent kinase 5	0.0064	0.0165	0.0165
Loa Loa (eye worm)	Csnk2b protein	0.0439	0.2103	0.2103
Schistosoma mansoni	serine/threonine protein kinase	0.0064	0.0165	0.0165
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0249	0.1124	0.0975
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0178	0.0759	0.2972
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	CMGC family protein kinase	0.0249	0.1124	0.0975
Trypanosoma brucei	protein kinase, putative	0.0068	0.019	0.0025
Giardia lamblia	Kinase, CMGC GSK	0.0068	0.019	0.0025
Echinococcus granulosus	dual specificity	0.0249	0.1124	0.1124
Giardia lamblia	Kinase, CMGC GSK	0.0068	0.019	0.0025
Trypanosoma brucei	Casein kinase II	0.1967	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0128	0.0499	0.0339
Echinococcus multilocularis	dual specificity	0.0219	0.0967	0.0967
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0439	0.2103	0.2103
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0128	0.0499	0.0339
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Plasmodium vivax	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0219	0.0967	0.0815
Plasmodium vivax	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0249	0.1124	0.1124
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0856	0.0856
Brugia malayi	casein kinase II, putaitve	0.0128	0.0499	0.0499
Entamoeba histolytica	protein kinase domain containing protein	0.0068	0.019	0.0025
Entamoeba histolytica	protein kinase, putative	0.0219	0.0967	0.0815
Entamoeba histolytica	protein kinase domain containing protein	0.0249	0.1124	0.0975
Entamoeba histolytica	protein kinase, putative	0.0219	0.0967	0.0815
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Entamoeba histolytica	protein kinase domain containing protein	0.0219	0.0967	0.0815
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0439	0.2103	0.1971
Echinococcus multilocularis	dual specificity	0.0249	0.1124	0.1124
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0055	0.0055
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.0751	0.3715	0.3715
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0249	0.1124	0.0975
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0064	0.0165	0.0165
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0439	0.2103	0.1971
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0439	0.2103	1
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.0272	0.0272
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0128	0.0499	0.0339
Schistosoma mansoni	casein kinase II beta subunit	0.0439	0.2103	0.2103
Plasmodium falciparum	casein kinase 2, alpha subunit	0.1967	1	1
Brugia malayi	Protein kinase domain containing protein	0.0219	0.0967	0.0967
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0439	0.2103	1
Brugia malayi	Protein kinase domain containing protein	0.0178	0.0759	0.0759
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0439	0.2103	0.1971
Schistosoma mansoni	serine/threonine protein kinase	0.0249	0.1124	0.1124
Trichomonas vaginalis	CMGC family protein kinase	0.0249	0.1124	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0183	0.0183
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0219	0.0967	0.0967
Echinococcus granulosus	cyclin dependent kinase 1	0.0064	0.0165	0.0165
Brugia malayi	cell division control protein 2 homolog	0.0064	0.0165	0.0165
Loa Loa (eye worm)	casein kinase II	0.0128	0.0499	0.0499
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.1967	1	1
Echinococcus granulosus	casein kinase ii subunit beta	0.0439	0.2103	0.2103

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 3.2 ug ml-1	Antifungal activity against Cryptococcus neoformans KCCM 50564 after 1 day by two fold broth dilution method	ChEMBL.	23453842
MIC (functional)	= 25 ug ml-1	Antifungal activity against Candida albicans Berkout KCCM 50235 after 1 day by two fold broth dilution method	ChEMBL.	23453842

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: CHEMBL2348704

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 1757278