TDR Targets

Basic information

Technical information

TDR Targets ID: 738107
Name: 2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]be nzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-ph enylpropanamide
MW: 398.545 | Formula: C20H22N4OS2
H donors: 2 H acceptors: 3 LogP: 5.02 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCc2c(C1)sc1c2c(N)nc(n1)SC(C(=O)Nc1ccccc1)C
InChi: 1S/C20H22N4OS2/c1-11-8-9-14-15(10-11)27-19-16(14)17(21)23-20(24-19)26-12(2)18(25)22-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,22,25)(H2,21,23,24)
InChiKey: SOEHJUIKOFJQBH-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

2-[(4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-propanamide
2-[(4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-phenylpropanamide
2-[(4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-propionamide
2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-propanamide
CBKinase1_007430
STOCK3S-14818
CBKinase1_019830

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
Schistosoma mansoni	serine/threonine kinase	0.0014	0.0008	0.0027
Entamoeba histolytica	protein kinase, putative	0.0014	0.0008	0.0016
Giardia lamblia	Kinase, AGC PKA	0.0013	0	0.5
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0014	0.0008	0.0027
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0398	1
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0018	0.0137	0.0129
Echinococcus granulosus	protein kinase c iota type	0.0014	0.0008	0.0027
Mycobacterium ulcerans	hypothetical protein	0.0017	0.0118	0.5
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0013	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0137	0.0464
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0014	0.0008	0.0027
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0023	0.0298	0.029
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0008	0.0027
Entamoeba histolytica	protein kinase, putative	0.0026	0.0398	0.0798
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0018	0.0137	0.0464
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0398	0.039
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0398	1
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0018	0.0137	0.0464
Brugia malayi	Egg laying defective protein 4	0.0018	0.0137	0.0129
Echinococcus multilocularis	expressed conserved protein	0.0018	0.0137	0.0464
Echinococcus granulosus	serine:threonine protein kinase N2	0.0014	0.0008	0.0027
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0013	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0026	0.0398	0.0798
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0008	0.0027
Echinococcus granulosus	cGMP dependent protein kinase	0.0018	0.0137	0.0464
Echinococcus multilocularis	protein kinase c epsilon type	0.0014	0.0008	0.0027
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0008	0.0027
Echinococcus granulosus	protein kinase C gamma type	0.0014	0.0008	0.0027
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0014	0.0008	0.0027
Schistosoma mansoni	atypical protein kinase C	0.0014	0.0008	0.0027
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0298	0.7441
Entamoeba histolytica	protein kinase, putative	0.0026	0.0398	0.0798
Echinococcus multilocularis	protein kinase c iota type	0.0014	0.0008	0.0027
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0398	1
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0008	0.0027
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0008	0.0027
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0014	0.0008	0.0027
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0398	1
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0298	0.7441
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0026	0.0398	0.039
Schistosoma mansoni	serine/threonine protein kinase	0.0109	0.295	1
Echinococcus granulosus	rho-associated protein kinase 1	0.0109	0.295	1
Echinococcus multilocularis	rho associated protein kinase	0.0109	0.295	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0014	0.0008	0.0027
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0018	0.0137	0.0464
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0014	0.0008	0.0027
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0298	0.7441
Toxoplasma gondii	AGC kinase	0.0026	0.0398	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0026	0.0398	0.039
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0398	1
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0018	0.0137	0.0464
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0026	0.0398	0.5
Echinococcus granulosus	NDR protein kinase	0.0014	0.0008	0.0027
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0337	1	1
Echinococcus granulosus	protein kinase c epsilon type	0.0014	0.0008	0.0027
Entamoeba histolytica	hypothetical protein	0.0175	0.498	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0026	0.0398	0.039
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0298	0.029
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0014	0.0008	0.0027
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0137	0.0464
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0022	0.0279	0.695
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0008	0.0027
Onchocerca volvulus		0.0109	0.295	1
Plasmodium falciparum	cGMP-dependent protein kinase	0.0018	0.0137	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0014	0.0008	0.0027
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0014	0.0008	0.0027
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0013	0	0.5
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0014	0.0008	0.0027
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0398	1
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0008	0.0027
Echinococcus multilocularis	serine threonine protein kinase	0.0014	0.0008	0.0027
Trypanosoma cruzi	Protein kinase B	0.0013	0	0.5
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0014	0.0008	0.0027
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0398	1

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 738107