TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.475 | Formula: C21H21N3O2S
H donors: 1 H acceptors: 3 LogP: 3.67 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cnc(c(n1)c1ccc2c(c1)CC(O2)CNC(=O)c1sccc1C)C
InChi: 1S/C21H21N3O2S/c1-12-6-7-27-20(12)21(25)23-11-17-9-16-8-15(4-5-18(16)26-17)19-14(3)22-10-13(2)24-19/h4-8,10,17H,9,11H2,1-3H3,(H,23,25)
InChiKey: FKQZGPFTIRFGKO-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
Echinococcus multilocularis	rac serine:threonine kinase	0.0028	0.1139	0.0973
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0014	0.0397	0.0313
Onchocerca volvulus	Tyrosine kinase homolog	0.0163	0.8336	0.7044
Echinococcus multilocularis	protein kinase c epsilon type	0.0014	0.0397	0.0173
Echinococcus granulosus	nervana 2	0.0024	0.0924	0.0741
Schistosoma mansoni	serine/threonine protein kinase	0.0111	0.5535	0.5513
Trichomonas vaginalis	TKL family protein kinase	0.0007	0.0038	0.0068
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0014	0.0397	0.0173
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0014	0.0397	0.0173
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0012	0.0307	0.0555
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0175	0.8948	0.8939
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0397	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0423	0.0339
Brugia malayi	Hr1 repeat family protein	0.0014	0.0397	0.0164
Brugia malayi	serine/threonine-protein kinase plk-2	0.0111	0.5535	0.5427
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0014	0.0397	0.0313
Echinococcus granulosus	serine:threonine protein kinase N2	0.0014	0.0397	0.0173
Echinococcus granulosus	neuroglian	0.0014	0.0382	0.0157
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.1139	0.2004
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.0068
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.5535	1
Echinococcus granulosus	NDR protein kinase	0.0014	0.0397	0.0173
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0025	0.1013	0.0838
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Schistosoma mansoni	nephrin	0.0014	0.0382	0.0335
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0014	0.0397	0.0173
Toxoplasma gondii	AGC kinase	0.0037	0.1655	0.5
Entamoeba histolytica	protein kinase, putative	0.0043	0.1941	0.3461
Schistosoma mansoni	cell adhesion molecule	0.0014	0.0423	0.0375
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.5535	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0014	0.0397	0.0313
Echinococcus granulosus	nervana 2	0.0024	0.0924	0.0741
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0014	0.0397	0.0173
Onchocerca volvulus		0.016	0.8139	0.6547
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0024	0.0924	0.0741
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.5535	1
Echinococcus granulosus	serine threonine protein kinase nrc	0.0025	0.1013	0.0838
Echinococcus granulosus	Glutaredoxin protein 5	0.0024	0.0924	0.0741
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0175	0.8948	0.8922
Schistosoma mansoni	serine/threonine-protein kinase	0.0028	0.1139	0.1095
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0014	0.0397	0.0313
Brugia malayi	Protein kinase domain containing protein	0.004	0.1781	0.1582
Schistosoma mansoni	atypical protein kinase C	0.0014	0.0397	0.0349
Schistosoma mansoni	elongation factor 2 kinase	0.0043	0.1941	0.1901
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.0397	0.0717
Leishmania major	myosin heavy chain kinase a-like protein	0.0147	0.7466	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0111	0.5535	0.5713
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0014	0.0397	0.0313
Echinococcus multilocularis	nervana 2	0.0024	0.0924	0.0741
Trypanosoma cruzi	polo-like protein kinase, putative	0.0111	0.5535	0.7008
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0237	0.0151
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0397	0.0349
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0014	0.0397	0.0173
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1781	0.3218
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0037	0.1655	0.1582
Echinococcus granulosus	Protein kinase C brain isozyme	0.0014	0.0397	0.0173
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0014	0.0397	0.0173
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0111	0.5535	0.5713
Entamoeba histolytica	protein kinase, putative	0.0037	0.1655	0.2942
Echinococcus granulosus	protein kinase C gamma type	0.0014	0.0397	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0237	0.0151
Echinococcus multilocularis	nervana 2	0.0024	0.0924	0.0741
Echinococcus granulosus	protein kinase c iota type	0.0014	0.0397	0.0173
Trypanosoma cruzi	Protein kinase B	0.0028	0.1139	0.0195
Echinococcus granulosus	twitchin	0.0015	0.0472	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0569	0.0486
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0186	0.9512	0.95
Echinococcus multilocularis	eukaryotic elongation factor 2 kinase	0.0147	0.7466	0.7794
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0569	0.0486
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0397	0.0349
Echinococcus granulosus	protein kinase c epsilon type	0.0014	0.0397	0.0173
Schistosoma mansoni	serine/threonine kinase	0.0014	0.0397	0.0349
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0014	0.0397	0.0313
Giardia lamblia	Kinase, PLK	0.0111	0.5535	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0028	0.1139	0.1095
Entamoeba histolytica	hypothetical protein, conserved	0.0043	0.1941	0.3461
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1781	0.3218
Entamoeba histolytica	hypothetical protein, conserved	0.0043	0.1941	0.3461
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0186	0.9512	0.9507
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.0397	0.0717
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0397	0.0164
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0014	0.0397	0.0173
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.0237	0.0188
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1781	0.3218
Brugia malayi	protein kinase C II.	0.0014	0.0397	0.0164
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Entamoeba histolytica	protein kinase, putative	0.004	0.1781	0.3171
Loa Loa (eye worm)	AGC/AKT protein kinase	0.004	0.1781	0.1709
Trichomonas vaginalis	TKL family protein kinase	0.0007	0.0038	0.0068
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Echinococcus granulosus	eukaryotic elongation factor 2 kinase	0.0147	0.7466	0.7794
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0397	0.0349
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1781	0.3218
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0147	0.7466	1
Schistosoma mansoni	elongation factor 2 kinase	0.0043	0.1941	0.1901
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0237	0.0151
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0195	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0.1941	0.3461
Schistosoma mansoni	eukaryotic elongation factor 2 kinase (eef-2 kinase)	0.0147	0.7466	0.7453
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0014	0.0397	0.0173
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0147	0.7466	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0111	0.5535	0.5496
Trypanosoma cruzi	polo-like protein kinase, putative	0.0111	0.5535	0.7008
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1781	0.3218
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0397	0.0349
Echinococcus granulosus	serine/threonine protein kinase	0.0028	0.1139	0.0973
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0397	0.0349
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.5535	1
Schistosoma mansoni	kinase	0.0057	0.2683	0.2647
Brugia malayi	p70 ribosomal S6 kinase beta	0.0037	0.1655	0.1453
Echinococcus multilocularis	Glutaredoxin protein 5	0.0024	0.0924	0.0741
Echinococcus multilocularis	serine threonine protein kinase	0.0014	0.0397	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0237	0.0151
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1781	0.3218
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0028	0.1139	0.0195
Echinococcus multilocularis	protein kinase c iota type	0.0014	0.0397	0.0173
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0014	0.0397	0.0173
Trichomonas vaginalis	AGC family protein kinase	0.0016	0.0523	0.0945
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.5535	1
Entamoeba histolytica	protein kinase, putative	0.004	0.1781	0.3171
Trichomonas vaginalis	TKL family protein kinase	0.0007	0.0038	0.0068
Schistosoma mansoni	serine/threonine protein kinase	0.0186	0.9512	0.9509
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0186	0.9512	1
Schistosoma mansoni	serine/threonine protein kinase	0.0195	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.0397	0.0717
Echinococcus multilocularis	neuroglian	0.0014	0.0382	0.0157
Echinococcus granulosus	roundabout 2	0.0017	0.0569	0.0358
Brugia malayi	Protein kinase domain containing protein	0.0186	0.9512	0.95
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0014	0.0423	0.0201
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0014	0.0397	0.0173
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.0068
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0147	0.7466	1
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0025	0.1013	0.5
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0111	0.5535	0.6506
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0186	0.9512	1
Trichomonas vaginalis	CAMK family protein kinase	0.0055	0.2607	0.471
Echinococcus multilocularis	roundabout 2	0.0017	0.0569	0.0358
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1781	0.3218
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.5535	1
Trichomonas vaginalis	CAMK family protein kinase	0.0007	0.0038	0.0068
Entamoeba histolytica	protein kinase 2, putative	0.0025	0.1013	0.1775
Entamoeba histolytica	hypothetical protein, conserved	0.0043	0.1941	0.3461
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0237	0.0151
Trichomonas vaginalis	CAMK family protein kinase	0.0055	0.2607	0.471
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0186	0.9512	0.9507
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0025	0.1013	0.5
Trypanosoma brucei	polo-like protein kinase	0.0111	0.5535	0.6604
Brugia malayi	MHCK/EF2 kinase domain family protein	0.0147	0.7466	0.7404
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0025	0.1013	0.0838
Schistosoma mansoni	vesicular amine transporter	0.0011	0.0237	0.0188
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0147	0.7466	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.1139	0.2004
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0043	0.1941	0.3461
Entamoeba histolytica	protein kinase, putative	0.0014	0.0397	0.0653
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0186	0.9512	1
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.5535	1
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0397	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0147	0.7466	0.7443
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0038	0.0068
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0111	0.5535	1
Entamoeba histolytica	protein kinase, putative	0.0043	0.1941	0.3461
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0237	0.0151
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.0237	0.0188
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0024	0.0924	0.0741
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0397	0.0164
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0397	0.0349

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 814626