TDR Targets

Basic information

Technical information

TDR Targets ID: 1397174
Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)buta namide
MW: 231.338 | Formula: C8H13N3OS2
H donors: 1 H acceptors: 3 LogP: 1.92 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)Nc1nnc(s1)SCC
InChi: 1S/C8H13N3OS2/c1-3-5-6(12)9-7-10-11-8(14-7)13-4-2/h3-5H2,1-2H3,(H,9,10,12)
InChiKey: DOECMAUHDYYEDA-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

N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]butanamide
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]butyramide
MLS000697976
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
SMR000229647
ZINC00383521
AO-548/11993023

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Plasmodium vivax	unspecified product	0.0138	0.2845	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Chlamydia trachomatis	dihydrofolate reductase	0.018	0.3805	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0974	0.0974
Brugia malayi	Csnk2b protein	0.0038	0.0574	0.0574
Schistosoma mansoni	hypothetical protein	0.0058	0.1042	0.1042
Echinococcus granulosus	dihydrofolate reductase	0.018	0.3805	0.3805
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0974	0.0974
Schistosoma mansoni	ap endonuclease	0.0023	0.0238	0.0238
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Echinococcus multilocularis	dihydrofolate reductase	0.018	0.3805	0.3805
Giardia lamblia	Kinase, CMGC CK2	0.0138	0.2845	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0038	0.0574	0.129
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0238	0.0238
Trichomonas vaginalis	CMGC family protein kinase	0.0138	0.2845	1
Echinococcus multilocularis	geminin	0.0205	0.4354	0.4354
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.1042	0.1042
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.018	0.3805	1
Entamoeba histolytica	protein kinase domain containing protein	0.0138	0.2845	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0238	0.0238
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0069	0.1284	0.4014
Echinococcus granulosus	geminin	0.0205	0.4354	0.4354
Trypanosoma cruzi	casein kinase II, putative	0.0138	0.2845	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Loa Loa (eye worm)	dihydrofolate reductase	0.018	0.3805	0.3805
Trichomonas vaginalis	CMGC family protein kinase	0.0138	0.2845	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0974	0.0974
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0069	0.1284	0.4014
Onchocerca volvulus		0.0058	0.1042	0.1042
Schistosoma mansoni	survival motor neuron protein	0.0058	0.1042	0.1042
Giardia lamblia	Casein kinase II beta chain	0.0038	0.0574	0.129
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.6185	0.6185
Schistosoma mansoni	casein kinase II beta subunit	0.0038	0.0574	0.0574
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0038	0.0574	0.129
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0138	0.2845	0.2845
Plasmodium vivax	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Loa Loa (eye worm)	Csnk2b protein	0.0038	0.0574	0.0574
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0238	0.0238
Trichomonas vaginalis	CMGC family protein kinase	0.0138	0.2845	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Trichomonas vaginalis	CMGC family protein kinase	0.0138	0.2845	1
Echinococcus granulosus	casein kinase ii subunit beta	0.0038	0.0574	0.0574
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.018	0.3805	0.5
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0069	0.1284	0.4014
Trichomonas vaginalis	CMGC family protein kinase	0.0138	0.2845	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0038	0.0574	0.129
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0138	0.2845	1
Schistosoma mansoni	dihydrofolate reductase	0.018	0.3805	0.3805
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0238	0.5
Entamoeba histolytica	casein kinase, putative	0.0138	0.2845	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0974	0.0974
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0038	0.0574	0.129
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0038	0.0574	0.0574
Toxoplasma gondii	CMGC kinase, CK2 family	0.0138	0.2845	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0069	0.1284	0.4014
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0974	0.0974
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.6185	0.6185
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0038	0.0574	0.129
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0038	0.0574	0.129
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0974	0.0974
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Brugia malayi	hypothetical protein	0.0286	0.6185	0.6185
Echinococcus granulosus	casein kinase ii subunit alpha	0.0138	0.2845	0.2845
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0038	0.0574	0.129
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0974	0.0974
Schistosoma mansoni	hypothetical protein	0.0205	0.4354	0.4354
Plasmodium vivax	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Loa Loa (eye worm)	hypothetical protein	0.0286	0.6185	0.6185
Schistosoma mansoni	ap endonuclease	0.0023	0.0238	0.0238
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0069	0.1284	0.4014
Toxoplasma gondii	ck2 beta subunit	0.0038	0.0574	0.129
Brugia malayi	dihydrofolate reductase family protein	0.018	0.3805	0.3805
Trypanosoma brucei	Casein kinase II	0.0138	0.2845	1
Brugia malayi	Casein kinase II, alpha chain	0.0138	0.2845	0.2845
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0069	0.1284	0.4014
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0238	0.0238
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0038	0.0574	0.0574
Leishmania major	casein kinase II, putative	0.0138	0.2845	1
Plasmodium falciparum	casein kinase II beta chain	0.0038	0.0574	0.129
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0138	0.2845	1
Schistosoma mansoni	protein kinase	0.0138	0.2845	0.2845
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0038	0.0574	0.129
Brugia malayi	Dihydrofolate reductase	0.018	0.3805	0.3805
Trichomonas vaginalis	CMGC family protein kinase	0.0138	0.2845	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0974	0.0974
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0238	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0138	0.2845	1
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0184	0.3891	0.3891
Echinococcus multilocularis	casein kinase ii subunit beta	0.0038	0.0574	0.0574
Plasmodium falciparum	casein kinase II beta chain	0.0038	0.0574	0.129
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0574	0.129
Schistosoma mansoni	sodium-bile acid cotransporter	0.027	0.5833	0.5833
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.018	0.3805	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0974	0.0974
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0138	0.2845	0.2845
Schistosoma mansoni	hypothetical protein	0.0205	0.4354	0.4354

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.0596 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1521823

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 1397174