TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 319.42 | Formula: C20H17NOS
H donors: 0 H acceptors: 1 LogP: 4.98 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)N1C(=O)CSC1c1cccc2c1cccc2
InChi: 1S/C20H17NOS/c1-14-9-11-16(12-10-14)21-19(22)13-23-20(21)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,20H,13H2,1H3
InChiKey: FMQFXEZNVQTWAV-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
Giardia lamblia	Kinase, CMGC CDK	0.005	0.0049	0.0013
Schistosoma mansoni	hypothetical protein	0.008	0.0111	0.007
Schistosoma mansoni	hypothetical protein	0.008	0.0111	0.007
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.008	0.0111	0.007
Schistosoma mansoni	hypothetical protein	0.008	0.0111	0.007
Echinococcus multilocularis	cyclin dependent kinase 1	0.005	0.0049	0.0008
Trypanosoma brucei	wee1-like protein kinase	0.0187	0.034	0.03
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.005	0.0049	0.0008
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.008	0.0111	0.5
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.4716	1	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2012	0.4234	0.4209
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0187	0.034	0.03
Echinococcus multilocularis	phosphoglycerate mutase	0.008	0.0111	0.007
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.4636	0.983	0.9829
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.008	0.0111	0.007
Onchocerca volvulus		0.008	0.0111	0.007
Trichomonas vaginalis	cyclin B, putative	0.0047	0.0042	0.3117
Entamoeba histolytica	cell division protein kinase 2, putative	0.005	0.0049	0.0013
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.008	0.0111	0.012
Echinococcus granulosus	phosphoglycerate mutase	0.008	0.0111	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0111	1
Trichomonas vaginalis	cyclins, putative	0.0047	0.0042	0.3117
Toxoplasma gondii	phosphoglycerate mutase family protein	0.008	0.0111	1
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0111	1
Leishmania major	phosphoglycerate mutase protein, putative	0.008	0.0111	0.007
Plasmodium falciparum	phosphoglycerate mutase, putative	0.008	0.0111	1
Echinococcus multilocularis	phosphoglycerate mutase	0.008	0.0111	0.007
Loa Loa (eye worm)	hypothetical protein	0.4716	1	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0049	0.0049
Brugia malayi	Protein kinase domain containing protein	0.005	0.0049	0.0073
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.008	0.0111	0.007
Trichomonas vaginalis	cyclin A, putative	0.0047	0.0042	0.3117
Mycobacterium tuberculosis	Conserved protein	0.008	0.0111	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0049	0.0008
Trypanosoma cruzi	cdc2-related kinase 1	0.005	0.0049	0.0008
Giardia lamblia	Kinase, CMGC CDK	0.005	0.0049	0.0013
Plasmodium falciparum	phosphoglucomutase-2	0.008	0.0111	1
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.2783	0.5878	1
Brugia malayi	phosphoglycerate mutase family protein	0.008	0.0111	0.0657
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.008	0.0111	0.5
Leishmania major	hypothetical protein, unknown function	0.008	0.0111	0.007
Onchocerca volvulus	Protein UBASH3A homolog	0.008	0.0111	0.007
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0049	0.0008
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.008	0.0111	0.5
Echinococcus granulosus	phosphoglycerate mutase	0.008	0.0111	0.007
Mycobacterium leprae	Possible phosphoglycerate mutase	0.008	0.0111	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0049	0.3878
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4716	1	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4716	1	1
Onchocerca volvulus	Protein UBASH3A homolog	0.008	0.0111	0.007
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4716	1	1
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.005	0.0049	0.0008
Schistosoma mansoni	phosphoglycerate mutase	0.008	0.0111	0.007
Trichomonas vaginalis	cyclin B, putative	0.0047	0.0042	0.3117
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.008	0.0111	0.5
Treponema pallidum	phosphoglyceromutase	0.008	0.0111	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.0111	0.0111
Onchocerca volvulus		0.008	0.0111	0.007
Onchocerca volvulus		0.4716	1	1
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.008	0.0111	0.5
Schistosoma mansoni	hypothetical protein	0.008	0.0111	0.007
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.008	0.0111	0.007
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.008	0.0111	0.007
Echinococcus multilocularis	cyclin dependent kinase 5	0.005	0.0049	0.0008
Echinococcus granulosus	phosphoglycerate mutase	0.008	0.0111	0.007
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4716	1	1
Toxoplasma gondii	phosphoglycerate mutase family protein	0.008	0.0111	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.008	0.0111	1
Schistosoma mansoni	hypothetical protein	0.008	0.0111	0.007
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0187	0.034	0.03
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0187	0.034	0.03
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.008	0.0111	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.4636	0.983	0.9829
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.008	0.0111	0.007
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.008	0.0111	0.007
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.008	0.0111	0.007
Trypanosoma brucei	cdc2-related kinase 1	0.005	0.0049	0.0008
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.008	0.0111	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0545	0.1105	0.1067
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.008	0.0111	0.007
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.008	0.0111	0.007
Trichomonas vaginalis	cyclins, putative	0.0047	0.0042	0.3117
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.008	0.0111	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0049	0.3878
Entamoeba histolytica	cell division protein kinase 2, putative	0.005	0.0049	0.0013
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4636	0.983	0.9829
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0187	0.034	0.03
Trypanosoma cruzi	cdc2-related kinase 3	0.005	0.0049	0.0008
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.005	0.0049	0.0008
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2012	0.4234	0.4209
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.008	0.0111	1
Plasmodium vivax	phosphoglucomutase-2, putative	0.008	0.0111	1
Onchocerca volvulus		0.008	0.0111	0.007
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.2012	0.4234	0.4209
Plasmodium vivax	phosphoglycerate mutase, putative	0.008	0.0111	1
Mycobacterium leprae	probable isochorismate synthase EntC	0.008	0.0111	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0042	0.0042
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.008	0.0111	0.007
Echinococcus multilocularis	cyclin dependent kinase 1	0.005	0.0049	0.0008
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0049	0.0049
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.008	0.0111	0.012
Mycobacterium ulcerans	hypothetical protein	0.2783	0.5878	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Schistosoma mansoni	6-phosphofructokinase	0.4716	1	1
Trypanosoma brucei	phosphoglycerate mutase, putative	0.008	0.0111	0.007
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.008	0.0111	0.007
Mycobacterium leprae	conserved hypothetical protein	0.008	0.0111	0.5
Trichomonas vaginalis	cyclins, putative	0.0047	0.0042	0.3117
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.008	0.0111	1
Loa Loa (eye worm)	hypothetical protein	0.4636	0.983	0.983
Echinococcus multilocularis	phosphoglycerate mutase	0.008	0.0111	0.007
Trypanosoma cruzi	cdc2-related kinase 3	0.005	0.0049	0.0008
Trypanosoma brucei	cdc2-related kinase 3	0.005	0.0049	0.0008
Echinococcus multilocularis	phosphoglycerate mutase	0.008	0.0111	0.007
Trichomonas vaginalis	cyclin B, putative	0.0047	0.0042	0.3117
Trypanosoma brucei	glycerolphosphate mutase, putative	0.008	0.0111	0.007
Onchocerca volvulus	Protein UBASH3A homolog	0.008	0.0111	0.007
Giardia lamblia	Hypothetical protein	0.2783	0.5878	1
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.008	0.0111	0.007
Onchocerca volvulus	Protein UBASH3A homolog	0.008	0.0111	0.007
Toxoplasma gondii	phosphoglycerate mutase	0.008	0.0111	1
Toxoplasma gondii	phosphoglycerate mutase family protein	0.008	0.0111	1
Echinococcus multilocularis	phosphoglycerate mutase	0.008	0.0111	0.007
Trichomonas vaginalis	cyclins, putative	0.0047	0.0042	0.3117
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0049	0.3878
Brugia malayi	Protein kinase domain containing protein	0.0545	0.1105	1
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.008	0.0111	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0042	0.0042
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.008	0.0111	0.007
Trypanosoma cruzi	cdc2-related kinase 1	0.005	0.0049	0.0008
Mycobacterium leprae	conserved hypothetical protein	0.008	0.0111	0.5
Loa Loa (eye worm)	phosphoglycerate mutase	0.008	0.0111	0.0111
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0545	0.1105	0.1105
Echinococcus granulosus	phosphoglycerate mutase	0.008	0.0111	0.007
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.008	0.0111	1
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.008	0.0111	0.007
Loa Loa (eye worm)	hypothetical protein	0.2703	0.5708	0.5708
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.008	0.0111	0.007
Brugia malayi	UBASH3A protein homolog	0.008	0.0111	0.0657
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.008	0.0111	0.5
Schistosoma mansoni	hypothetical protein	0.008	0.0111	0.007
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.2783	0.5878	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.008	0.0111	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.008	0.0111	0.012
Giardia lamblia	Hypothetical protein	0.2783	0.5878	1
Brugia malayi	cell division control protein 2 homolog	0.005	0.0049	0.0073
Loa Loa (eye worm)	hypothetical protein	0.008	0.0111	0.0111
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.008	0.0111	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.0111	0.0111
Leishmania major	hypothetical protein, conserved	0.008	0.0111	0.007
Leishmania major	hypothetical protein, conserved	0.008	0.0111	0.007
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2012	0.4234	0.4209
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Leishmania major	glycerolphosphate mutase, putative	0.008	0.0111	0.007
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0187	0.034	0.03
Echinococcus multilocularis	cyclin dependent kinase	0.005	0.0049	0.0008
Echinococcus granulosus	cyclin dependent kinase	0.005	0.0049	0.0008
Echinococcus granulosus	cyclin dependent kinase 1	0.005	0.0049	0.0008
Toxoplasma gondii	phosphoglycerate mutase family protein	0.008	0.0111	1
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.4636	0.983	0.9829
Leishmania major	phosphoglycerate mutase, putative	0.008	0.0111	0.007
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.008	0.0111	0.007
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.008	0.0111	0.007
Leishmania major	phosphoglycerate mutase family member 5, putative	0.008	0.0111	0.007
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.008	0.0111	0.5
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.005	0.0049	0.0049
Mycobacterium tuberculosis	Conserved hypothetical protein	0.008	0.0111	0.5
Mycobacterium tuberculosis	Conserved protein	0.008	0.0111	0.5
Brugia malayi	phosphoglycerate mutase family protein	0.008	0.0111	0.0657
Echinococcus granulosus	phosphoglycerate mutase	0.008	0.0111	0.007
Mycobacterium leprae	conserved hypothetical protein	0.008	0.0111	0.5
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.008	0.0111	0.007
Leishmania major	hypothetical protein, conserved	0.008	0.0111	0.007
Echinococcus multilocularis	phosphoglycerate mutase	0.008	0.0111	0.007
Trichomonas vaginalis	cyclin B, putative	0.0047	0.0042	0.3117
Loa Loa (eye worm)	hypothetical protein	0.008	0.0111	0.0111
Echinococcus granulosus	cyclin dependent kinase 5	0.005	0.0049	0.0008
Schistosoma mansoni	phosphoglycerate mutase	0.008	0.0111	0.007

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.25 uM	Cytotoxicity against human estrogen receptor negative SKBR3 cells after 72 hrs by MTT assay	ChEMBL.	23860590

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23860590

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: CHEMBL2414216

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 1771740