TDR Targets

Basic information

Technical information

TDR Targets ID: 1212672
Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3- (trifluoromethyl)phenyl]sulfanylacetamide
MW: 359.39 | Formula: C14H12F3N3OS2
H donors: 1 H acceptors: 3 LogP: 3.57 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nnc(s1)C1CC1)CSc1cccc(c1)C(F)(F)F
InChi: 1S/C14H12F3N3OS2/c15-14(16,17)9-2-1-3-10(6-9)22-7-11(21)18-13-20-19-12(23-13)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,18,20,21)
InChiKey: VOTZYSWGEDUDFJ-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-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide
ZINC06509718
T5368029

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
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
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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
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 granulosus	guanine nucleotide binding protein Gs subunit	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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	musashi	0.0031	0.0414	0.0477
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0029	0.011
Trypanosoma brucei	multidrug resistance protein E	0.0066	0.1335	1
Giardia lamblia	MRP-like ABC transporter	0.0066	0.1335	0.444
Echinococcus multilocularis	lamin	0.0031	0.0414	0.0477
Brugia malayi	TAR-binding protein	0.0073	0.1536	0.5929
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0435	0.3262
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0129	0.3007	0.3464
Echinococcus granulosus	tar DNA binding protein	0.0073	0.1536	0.1769
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0274	1
Brugia malayi	Importin beta-1 subunit	0.0032	0.0435	0.1681
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1055	0.1215
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1055	0.1215
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0499	0.0499
Schistosoma mansoni	hypothetical protein	0.0188	0.4591	0.5289
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0066	0.1335	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0414	0.0414
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1055	0.1215
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0129	0.3007	1
Schistosoma mansoni	ran	0.0024	0.021	0.0242
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0066	0.1335	0.1335
Schistosoma mansoni	importin beta-1	0.0032	0.0435	0.0502
Onchocerca volvulus		0.0031	0.0414	0.5
Echinococcus multilocularis	geminin	0.0188	0.4591	0.5289
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.021	0.0242
Schistosoma mansoni	lamin	0.0031	0.0414	0.0477
Echinococcus granulosus	intermediate filament protein	0.0031	0.0414	0.0477
Entamoeba histolytica	hypothetical protein	0.0026	0.0274	0.0568
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0029	0.0029
Echinococcus multilocularis	lamin dm0	0.0031	0.0414	0.0477
Loa Loa (eye worm)	RNA binding protein	0.0073	0.1536	0.1536
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1055	0.1215
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.1335	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0065	0.1321	0.4393
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1536	0.1769
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0066	0.1335	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0066	0.1335	0.1538
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.021	0.021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1055	0.1215
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0435	0.0435
Echinococcus multilocularis	multidrug resistance associated protein 4	0.005	0.0928	0.1069
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0129	0.3007	0.3464
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0435	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0435	0.0435
Echinococcus multilocularis	snurportin 1	0.0342	0.868	1
Entamoeba histolytica	multidrug resistance protein, putative	0.0066	0.1335	1
Brugia malayi	RNA binding protein	0.0073	0.1536	0.5929
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1055	0.1055
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.021	0.4834
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0414	0.0414
Leishmania major	ABC-thiol transporter	0.0066	0.1335	1
Entamoeba histolytica	ABC transporter, putative	0.0066	0.1335	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0066	0.1335	0.444
Echinococcus granulosus	multidrug resistance associated protein 7	0.0066	0.1335	0.1538
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0066	0.1335	1
Schistosoma mansoni	lamin	0.0031	0.0414	0.0477
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.1335	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.021	0.021
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0129	0.3007	0.3464
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0414	0.16
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1536	0.1769
Trypanosoma cruzi	hypothetical protein	0.005	0.0928	0.6954
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.1536	0.5929
Leishmania major	p-glycoprotein e	0.0066	0.1335	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.021	0.1577
Leishmania major	GTP-binding protein, putative	0.0024	0.021	0.1577
Trypanosoma brucei	p-glycoprotein	0.0066	0.1335	1
Onchocerca volvulus		0.0031	0.0414	0.5
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.021	0.07
Echinococcus granulosus	lamin dm0	0.0031	0.0414	0.0477
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0414	0.0477
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1536	0.1769
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1055	0.4073
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1335	0.1335
Plasmodium falciparum	importin beta, putative	0.0032	0.0435	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0066	0.1335	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0066	0.1335	1
Brugia malayi	multidrug resistance related protein 1	0.0066	0.1335	0.5155
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0274	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.021	0.1577
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0435	0.0502
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0414	0.0414
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.1536	0.1769
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.021	0.1577
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0274	0.2055
Echinococcus granulosus	snurportin 1	0.0342	0.868	1
Trichomonas vaginalis	ran, putative	0.0024	0.021	0.7673
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0274	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0066	0.1335	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0066	0.1335	1
Schistosoma mansoni	multidrug resistance protein	0.0066	0.1335	0.1538
Giardia lamblia	ABC transporter, putative	0.0066	0.1335	0.444
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0066	0.1335	0.1335
Giardia lamblia	Multidrug resistance-associated protein 1	0.0066	0.1335	0.444
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0113	0.259	0.259
Brugia malayi	ABC transporter transmembrane region family protein	0.0066	0.1335	0.5155
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0066	0.1335	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0129	0.3007	0.3007
Echinococcus granulosus	multidrug resistance associated protein 1	0.0066	0.1335	0.1538
Toxoplasma gondii	hypothetical protein	0.0391	1	1
Schistosoma mansoni	multidrug resistance protein	0.0066	0.1335	0.1538
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0066	0.1335	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0113	0.259	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0113	0.259	0.2984
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.021	0.4834
Entamoeba histolytica	hypothetical protein	0.0066	0.1335	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.005	0.0928	0.1069
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0129	0.3007	0.3464
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.1335	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1321	0.1321
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.021	0.0813
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.021	0.0242
Schistosoma mansoni	hypothetical protein	0.0188	0.4591	0.5289
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1536	0.1769
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0129	0.3007	0.3464
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0066	0.1335	1
Brugia malayi	RNA, U transporter 1	0.0091	0.2007	0.7748
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0499	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0399	0.0399
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0274	0.2055
Schistosoma mansoni	hypothetical protein	0.0342	0.868	1
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Leishmania major	pentamidine resistance protein 1	0.0066	0.1335	1
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Echinococcus granulosus	lamin	0.0031	0.0414	0.0477
Brugia malayi	intermediate filament protein	0.0031	0.0414	0.16
Schistosoma mansoni	ran	0.0024	0.021	0.0242
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0435	0.0502
Echinococcus granulosus	geminin	0.0188	0.4591	0.5289
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3007	0.3007
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.1536	0.1536
Schistosoma mansoni	multidrug resistance protein	0.0066	0.1335	0.1538
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0342	0.868	0.868
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1055	0.1215
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0435	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1335	0.1335
Schistosoma mansoni	multidrug resistance protein	0.0066	0.1335	0.1538
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1536	0.1769
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1055	0.1215
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0391	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.1536	0.1536
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0113	0.259	0.2984
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0051	0.0942	0.0942
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0066	0.1335	0.1538

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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)	112.2018 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1876357

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 1212672