TDR Targets

Basic information

Technical information

TDR Targets ID: 624959
Name: N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-y l)thiophene-2-carboxamide
MW: 285.409 | Formula: C10H11N3OS3
H donors: 1 H acceptors: 3 LogP: 3.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(Sc1nnc(s1)NC(=O)c1cccs1)C
InChi: 1S/C10H11N3OS3/c1-6(2)16-10-13-12-9(17-10)11-8(14)7-4-3-5-15-7/h3-6H,1-2H3,(H,11,12,14)
InChiKey: LHWQXYDQUYLKBJ-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-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
N-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
N-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
IFLab1_002107
ZINC04086658

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
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0	0.5
Toxoplasma gondii	type I fatty acid synthase, putative	0.0026	0.1335	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.002	0.0883	0.4155
Mycobacterium ulcerans	fatty acid synthase Fas	0.0008	0.0023	0.0056
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0184	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.001	0.0181	0.0864
Brugia malayi	nuclear receptor NHR-88	0.001	0.0184	0.0184
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0184	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0025	0.1226	0.5856
Mycobacterium ulcerans	polyketide synthase	0.0026	0.1335	0.6357
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0026	0.1335	0.6337
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0184	0.0184
Onchocerca volvulus	Fatty acid synthase homolog	0.0044	0.2634	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0025	0.1226	0.5834
Mycobacterium leprae	Polyketide synthase Pks13	0.0037	0.2094	1
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.1335	0.6357
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0025	0.1226	0.581
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0016	0.0632	0.2941
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0046	0.2797	0.2797
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0184	0.0184
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0184	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.002	0.0906	0.4329
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0184	0.0184
Toxoplasma gondii	type I fatty acid synthase, putative	0.0017	0.072	0.3708
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0016	0.0632	0.2981
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0026	0.1335	0.6357
Loa Loa (eye worm)	acyl carrier protein	0.0011	0.0278	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0037	0.2094	1
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0026	0.1335	0.6337
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0026	0.1335	0.6376
Schistosoma mansoni	coup transcription factor	0.001	0.0184	1
Onchocerca volvulus		0.0023	0.1111	0.3783
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0184	0.0184
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0184	0.0184
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0184	0.0184
Echinococcus multilocularis	muscleblind protein	0.0147	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2419	0.2277
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.1111	0.0944
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0184	0.0184
Brugia malayi	nuclear hormone receptor	0.001	0.0184	0.0184
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0008	0.0075	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0454	0.0276
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.1226	0.5834
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0184	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0025	0.1226	0.581
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0026	0.1335	0.6337
Echinococcus multilocularis	muscleblind protein 1	0.0147	1	1
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0024	0.1172	0.5599
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0025	0.1226	0.5856
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.002	0.0883	0.4188
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0037	0.2094	1
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.002	0.0934	0.4398
Mycobacterium ulcerans	polyketide synthase	0.0025	0.1226	0.5834
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0184	0.0184
Mycobacterium ulcerans	polyketide synthase Pks9	0.0016	0.0632	0.2981
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0184	0.0184
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0184	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0184	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0018	0.0732	0.3495
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0008	0.0023	0.0108
Onchocerca volvulus		0.0043	0.2525	0.9555
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.1226	0.5834
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0184	0.0184
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0184	0.0184
Brugia malayi	steroid hormone receptor	0.001	0.0184	0.0184
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0011	0.0011
Leishmania major	hypothetical protein, conserved	0.0007	0	0.5
Mycobacterium tuberculosis	Probable thioesterase TesA	0.002	0.0934	0.4459
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.1226	0.5834
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0184	0.0184
Giardia lamblia	Methyltransferase like 2	0.0007	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0184	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0184	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0184	0.0184
Mycobacterium ulcerans	thioesterase TesA	0.002	0.0934	0.443
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0184	0.0184
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0184	1
Mycobacterium ulcerans	polyketide synthase Pks13	0.0037	0.2094	1
Mycobacterium ulcerans	thioesterase	0.002	0.0934	0.443
Echinococcus granulosus	muscleblind protein	0.0147	1	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0025	0.1226	0.5856
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0184	0.0184
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0008	0.0011	0.0052
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0024	0.1172	0.5599
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.002	0.0883	0.4188
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1111	0.1111
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0184	1
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0016	0.061	0.2574
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.1335	0.6376
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0014	0.0469	0.224
Loa Loa (eye worm)	fatty acid synthase	0.0024	0.1203	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0184	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0184	1
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0026	0.1335	0.6376
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0025	0.1226	0.1226
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0023	0.1111	0.5305
Brugia malayi	ecdysteroid receptor	0.001	0.0184	0.0184
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0184	0.0184

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 624959