TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 245.365 | Formula: C9H15N3OS2
H donors: 1 H acceptors: 2 LogP: 0.66 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)C1(C#N)SCC(CS1)N(C)C
InChi: 1S/C9H15N3OS2/c1-11-8(13)9(6-10)14-4-7(5-15-9)12(2)3/h7H,4-5H2,1-3H3,(H,11,13)
InChiKey: BHDBSZCWICNRNF-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Schistosoma mansoni	lipoxygenase	0.0137	0.4017	0.7601
Schistosoma mansoni	jumonji domain containing protein	0.0069	0.1496	0.2471
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0035	0.0281	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.017	0.5196	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.6213	0.418
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0035	0.0281	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.017	0.5196	1
Trypanosoma brucei	protein kinase, putative	0.017	0.5196	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0123	0.3493	0.6698
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0035	0.0281	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.1496	0.2471
Schistosoma mansoni	serine/threonine protein kinase	0.017	0.5196	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0123	0.3493	0.6536
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.017	0.5196	1
Mycobacterium leprae	Conserved hypothetical protein	0.0035	0.0281	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0064	0.1349	1
Loa Loa (eye worm)	intermediate filament protein	0.006	0.1168	0.1168
Brugia malayi	cytochrome P450	0.0035	0.0281	0.0127
Loa Loa (eye worm)	jmjC domain-containing protein	0.0069	0.1496	0.1496
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0123	0.3493	0.6536
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0035	0.0281	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	1	1
Brugia malayi	Cytochrome P450 family protein	0.0035	0.0281	0.0127
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0035	0.0281	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0035	0.0281	0.5
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0123	0.3493	0.6536
Echinococcus multilocularis	lysine specific demethylase 5A	0.0069	0.1496	0.2823
Loa Loa (eye worm)	cytochrome P450 family protein	0.0064	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.006	0.1168	0.1168
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0069	0.1496	0.2823
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.6213	0.418
Loa Loa (eye worm)	cytochrome P450 family protein	0.0064	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0123	0.3493	0.3493
Echinococcus multilocularis	lamin	0.006	0.1168	0.2188
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0035	0.0281	0.5
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.017	0.5196	1
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0035	0.0281	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0035	0.0281	0.5
Echinococcus granulosus	mitogen activated protein kinase	0.017	0.5196	1
Trypanosoma cruzi	cytochrome P450, putative	0.0064	0.1349	0.2172
Echinococcus multilocularis	musashi	0.006	0.1168	0.2188
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.017	0.5196	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.017	0.5196	1
Brugia malayi	Cytochrome P450 family protein	0.0099	0.2606	0.2489
Echinococcus granulosus	lamin	0.006	0.1168	0.2188
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0035	0.0281	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.6213	0.418
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0123	0.3493	0.339
Brugia malayi	Intermediate filament tail domain containing protein	0.006	0.1168	0.1028
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0069	0.1496	0.2823
Echinococcus granulosus	lamin dm0	0.006	0.1168	0.2188
Brugia malayi	follicle stimulating hormone receptor	0.0259	0.8481	0.8457
Echinococcus multilocularis	mitogen activated protein kinase 3	0.017	0.5196	1
Trypanosoma cruzi	cytochrome P450, putative	0.0064	0.1349	0.2172
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0055	0.0055
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0123	0.3493	0.6536
Brugia malayi	jmjC domain containing protein	0.0069	0.1496	0.1361
Onchocerca volvulus	Glucosylceramidase homolog	0.0197	0.6213	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0208	0.6602	0.4778
Mycobacterium leprae	putative cytochrome p450	0.0035	0.0281	0.5
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.017	0.5196	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0301	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.017	0.5196	0.2617
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0035	0.0281	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0035	0.0281	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0035	0.0281	0.5
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0123	0.3493	0.6698
Leishmania major	cytochrome p450-like protein	0.0064	0.1349	0.2172
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0123	0.3493	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0259	0.8481	0.8481
Schistosoma mansoni	intermediate filament proteins	0.006	0.1168	0.1804
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0137	0.4017	0.7713
Echinococcus multilocularis	ubiquitin specific protease 41	0.0123	0.3493	0.6698
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.6213	0.418
Echinococcus granulosus	intermediate filament protein	0.006	0.1168	0.2188
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.017	0.5196	0.2617
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0137	0.4017	0.7713
Schistosoma mansoni	lipoxygenase	0.0096	0.2504	0.4522
Brugia malayi	Cytochrome P450 family protein	0.0064	0.1349	0.1212
Brugia malayi	jmjC domain containing protein	0.0069	0.1496	0.1361
Echinococcus granulosus	lysine specific demethylase 5A	0.0069	0.1496	0.2823
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1128	0.1128
Echinococcus granulosus	cytochrome P450 2K1	0.0035	0.0281	0.0468
Brugia malayi	MAP kinase sur-1	0.017	0.5196	0.512
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0035	0.0281	0.5
Brugia malayi	Cytochrome P450 family protein	0.0064	0.1349	0.1212
Trichomonas vaginalis	glucosylceramidase, putative	0.0208	0.6602	0.4778
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0032	0.0156	0.0156
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.006	0.1168	0.1168
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.017	0.5196	0.5196
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0035	0.0281	0.5
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0123	0.3493	0.6536
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.6213	0.418
Loa Loa (eye worm)	CYP4Cod1	0.0064	0.1349	0.1349
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0035	0.0281	0.5
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0123	0.3493	0.6536
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0123	0.3493	0.6698
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.6213	0.418
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0123	0.3493	0.6698
Loa Loa (eye worm)	hypothetical protein	0.0029	0.004	0.004
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.017	0.5196	1
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0035	0.0281	0.5
Loa Loa (eye worm)	cytochrome P450	0.0035	0.0281	0.0281
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.1496	0.2471
Giardia lamblia	Kinase, CMGC MAPK	0.017	0.5196	1
Echinococcus multilocularis	mitogen activated protein kinase	0.017	0.5196	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0099	0.2606	0.2606
Trichomonas vaginalis	CMGC family protein kinase	0.017	0.5196	0.2617
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.6213	0.418
Trypanosoma brucei	cytochrome P450, putative	0.0064	0.1349	0.2172
Trichomonas vaginalis	CMGC family protein kinase	0.017	0.5196	0.2617
Echinococcus granulosus	ubiquitin specific protease 41	0.0123	0.3493	0.6698
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.017	0.5196	1
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0035	0.0281	0.5
Schistosoma mansoni	lamin	0.006	0.1168	0.1804
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0035	0.0281	0.5
Brugia malayi	intermediate filament protein	0.006	0.1168	0.1028
Echinococcus multilocularis		0.0035	0.0281	0.0468
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0035	0.0281	0.5
Echinococcus multilocularis	lamin dm0	0.006	0.1168	0.2188
Schistosoma mansoni	lamin	0.006	0.1168	0.1804

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

ChEMBL: CHEMBL2285785

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 1806255