TDR Targets

Basic information

Technical information

TDR Targets ID: 824201
Name: methyl 2-acetyl-3,4-dimethyl-9-phenyl-1,6-dit hia-4,8,9-triazaspiro[4.4]nona-2,7-diene-7-ca rboxylate
MW: 363.454 | Formula: C16H17N3O3S2
H donors: 0 H acceptors: 2 LogP: 3.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=NN(C2(S1)SC(=C(N2C)C)C(=O)C)c1ccccc1
InChi: 1S/C16H17N3O3S2/c1-10-13(11(2)20)23-16(18(10)3)19(12-8-6-5-7-9-12)17-14(24-16)15(21)22-4/h5-9H,1-4H3
InChiKey: YHPQEYBIJPUUOT-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-acetyl-3,4-dimethyl-9-phenyl-1,6-dithia-4,8,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylic acid methyl ester
methyl 2-ethanoyl-3,4-dimethyl-9-phenyl-1,6-dithia-4,8,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate

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
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0163	0.2391	0.734
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2145	0.6583
Loa Loa (eye worm)	phosphatidylinositol 3	0.0201	0.3178	0.307
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0219	0.3568	0.4125
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0394	0.0241
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0085	0.0744	0.1111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.1949	0.5935
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0451	0.8427	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0219	0.3568	0.4125
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0128	0.166	0.1756
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0128	0.166	0.4976
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0163	0.2391	0.2702
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0075	0.0539	0.2254
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0959	0.2658
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0744	0.1944
Loa Loa (eye worm)	phosphatidylinositol 3	0.0163	0.2391	0.227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.195	0.5937
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0092	0.0897	0.0752
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0163	0.2391	0.227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2145	0.6583
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0744	0.0597
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0163	0.2391	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0154	0.2195	0.6747
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1184	0.3401
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0163	0.2391	0.2702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.1205	0.347
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0451	0.8427	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0076	0.0568	0.1183
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0154	0.2196	0.3099
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0163	0.2391	0.447
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0076	0.0568	0.0419
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0154	0.2195	0.6747
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0128	0.166	0.1528
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0076	0.0568	0.0498
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0218	0.0063
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0144	0.2	0.6101
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0091	0.0878	0.0734
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.2391	0.227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.1949	0.5935
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0201	0.3178	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2145	0.6583
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0154	0.2196	0.6681
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.2391	0.7395
Trypanosoma cruzi	target of rapamycin kinase 3	0.0154	0.2196	0.2409
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0128	0.166	0.4976
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0163	0.2391	0.2647
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0451	0.8427	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0128	0.166	0.1756
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0163	0.2391	0.447
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0219	0.3568	0.3466
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.195	0.5937
Entamoeba histolytica	hypothetical protein	0.0076	0.0568	0.1612
Entamoeba histolytica	hypothetical protein	0.0107	0.1217	0.46
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0568	0.1364
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0107	0.1217	0.46
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0451	0.8427	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0394	0.0241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.195	0.5937
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0154	0.2195	0.6747
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1754	0.5289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0144	0.1992	0.6075
Loa Loa (eye worm)	phosphatidylinositol 3	0.0198	0.3126	0.3017
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0096	0.0981	0.2731
Schistosoma mansoni	serine/threonine protein kinase	0.0526	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0059	0.0218	0.0205
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0151	0.2145	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0059	0.0218	0.0063
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0526	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0128	0.166	0.4976
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0076	0.0568	0.0419
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0128	0.166	0.6636
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1754	0.5289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0144	0.2	0.6101
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0144	0.1992	0.8164
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0568	0.0419
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0076	0.0568	0.0419
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.01	0.1072	0.3932
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.2391	0.7395
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0133	0.1754	0.5191
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0451	0.8427	0.8402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0959	0.2658
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0201	0.3178	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.195	0.5937
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1754	0.5289
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0092	0.0897	0.0895
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0163	0.2391	0.2647
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2145	0.6583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.0568	0.1364
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0092	0.0897	0.0895
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0201	0.3178	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0059	0.0218	0.0205
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.2391	0.7395
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0076	0.0568	0.0498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0097	0.1009	0.2822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0959	0.2658
Echinococcus granulosus	serine protein kinase ATM	0.0076	0.0568	0.0498
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0163	0.2391	1
Entamoeba histolytica	protein kinase rad3, putative	0.0076	0.0568	0.1612
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0897	0.0752
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0076	0.0568	0.0427
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2145	0.6583
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0076	0.0568	0.0419
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0154	0.2195	0.6747
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0451	0.8427	0.8402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2145	0.6583
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0163	0.2391	0.734
Giardia lamblia	GTOR	0.0163	0.2391	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0071	0.0454	0.1086
Echinococcus multilocularis	serine protein kinase ATM	0.0076	0.0568	0.0498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0154	0.2195	0.6747
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1754	0.5289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.1949	0.5935
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0094	0.0939	0.2437
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0059	0.0218	0.0205
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0076	0.0568	0.0427
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2145	0.6583
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0096	0.0981	0.2731

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 824201