TDR Targets

Basic information

Technical information

TDR Targets ID: 722955
Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl )-1-(furan-2-carbonyl)piperidine-4-carboxamid e
MW: 394.512 | Formula: C17H22N4O3S2
H donors: 1 H acceptors: 4 LogP: 3.06 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCC(Sc1nnc(s1)NC(=O)C1CCN(CC1)C(=O)c1ccco1)C
InChi: 1S/C17H22N4O3S2/c1-3-11(2)25-17-20-19-16(26-17)18-14(22)12-6-8-21(9-7-12)15(23)13-5-4-10-24-13/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,19,22)
InChiKey: WVNACQAPWNCUDF-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

1-(furan-2-carbonyl)-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
1-(2-furyl-oxomethyl)-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
1-(furan-2-carbonyl)-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]isonipecotamide
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-furan-2-ylcarbonyl-piperidine-4-carboxamide
STK237896
ASN 13781318

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0373	0.2222	1
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0182	0.0819
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0252	0.1456	0.6463
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.01	0.0329
Echinococcus granulosus	SAM and MBT domain containing protein	0.0052	0.0182	0.0596
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0231	0.1318	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0604	0.2718
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.1596	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.0265	0.0868
Entamoeba histolytica	phosphofructokinase, putative	0.0118	0.0604	0.2718
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0142	0.0756	0.3235
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0168	0.0552
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0373	0.2222	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0205	0.1153	0.3777
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0142	0.0756	0.3403
Schistosoma mansoni	hypothetical protein	0.0041	0.0113	0.0511
Brugia malayi	6-phosphofructokinase	0.0118	0.0604	0.2718
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0055	0.0248
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0168	0.0758
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0373	0.2222	1
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0373	0.2222	1
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0252	0.1456	0.477
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0604	0.2718
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0252	0.1456	0.477
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0182	0.0819
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0373	0.2222	1
Brugia malayi	6-phosphofructokinase	0.0118	0.0604	0.2718
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0252	0.1456	0.6463
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0373	0.2222	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0235	0.1056
Loa Loa (eye worm)	mbt repeat family protein	0.0052	0.0182	0.0819
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0008	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0182	0.0819
Schistosoma mansoni	bromodomain containing protein	0.0069	0.029	0.1304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0168	0.0758
Entamoeba histolytica	phosphofructokinase, putative	0.0118	0.0604	0.2718
Brugia malayi	Bromodomain containing protein	0.0042	0.0117	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0134	0.0602
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0055	0.0248
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0118	0.0604	0.2533
Brugia malayi	mbt repeat family protein	0.0052	0.0182	0.0819
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.1596	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0117	0.0528
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0059	0.0228	0.0746
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.01	0.0329
Echinococcus multilocularis	6 phosphofructokinase	0.0118	0.0604	0.1979
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0052	0.0182	0.5
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0373	0.2222	1
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0373	0.2222	1
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0373	0.2222	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0008	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0147	0.0661
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0052	0.0182	0.0819
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0373	0.2222	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0059	0.0228	0.1024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0168	0.0758
Echinococcus multilocularis	neuropeptide s receptor	0.0503	0.3052	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0168	0.0552
Echinococcus granulosus	6 phosphofructokinase	0.0118	0.0604	0.1979
Echinococcus multilocularis	neuropeptide receptor A26	0.0503	0.3052	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0235	0.1056
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0055	0.0248
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0604	0.2718
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0252	0.1456	0.6463
Loa Loa (eye worm)	MBCTL1	0.0059	0.0228	0.1024
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0168	0.0758
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, beta chain PheT	0.004	0.0109	0.0109
Schistosoma mansoni	hypothetical protein	0.0316	0.1858	0.8363
Echinococcus granulosus	neuropeptide receptor A26	0.0503	0.3052	1
Schistosoma mansoni	6-phosphofructokinase	0.0118	0.0604	0.2718
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0205	0.1153	0.3777
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0052	0.0182	0.0596
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0032	0.0055	0.0248
Mycobacterium ulcerans	6-phosphofructokinase	0.0118	0.0604	0.0604
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.1596	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0055	0.0248
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0373	0.2222	0.7281
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0118	0.0604	0.0604
Loa Loa (eye worm)	phosphofructokinase	0.0118	0.0604	0.2718
Brugia malayi	Bromodomain containing protein	0.0082	0.0371	0.1669
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0032	0.0055	0.0248
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0055	0.0248
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit beta	0.004	0.0109	0.0109
Onchocerca volvulus		0.0052	0.0182	0.5
Trichomonas vaginalis	phosphofructokinase, putative	0.0118	0.0604	0.2718
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0235	0.1056
Echinococcus granulosus	histone acetyltransferase MYST2	0.0059	0.0228	0.0746
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0142	0.0756	0.3403
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0183	0.1013	0.442
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0008	0.0026
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0252	0.1456	0.655
Echinococcus multilocularis	polycomb protein SCMH1	0.0052	0.0182	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0228	0.1024
Entamoeba histolytica	phosphofructokinase, putative	0.0118	0.0604	0.2718
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0168	0.0552
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0113	0.0511
Schistosoma mansoni	6-phosphofructokinase	0.0118	0.0604	0.2718
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0373	0.2222	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0059	0.0228	0.0746
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0168	0.0758
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0059	0.0228	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0341	0.1535
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit beta	0.004	0.0109	0.0054
Loa Loa (eye worm)	6-phosphofructokinase	0.0118	0.0604	0.2718
Brugia malayi	phosphofructokinase	0.0118	0.0604	0.2718
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0032	0.0055	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0113	0.0511
Loa Loa (eye worm)	hypothetical protein	0.006	0.0235	0.1056
Loa Loa (eye worm)	6-phosphofructokinase	0.0118	0.0604	0.2718
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0055	0.0248
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0252	0.1456	0.655
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0252	0.1456	0.655
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0373	0.2222	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.0265	0.0868
Echinococcus granulosus	neuropeptide s receptor	0.0503	0.3052	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0059	0.0228	0.1024
Echinococcus granulosus	polycomb protein SCMH1	0.0052	0.0182	0.0596
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0118	0.0604	0.2718
Brugia malayi	PHD-finger family protein	0.0027	0.0024	0.0109
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0373	0.2222	0.7281
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0373	0.2222	1
Brugia malayi	mbt repeat family protein	0.0052	0.0182	0.0819
Leishmania major	ATP-dependent phosphofructokinase	0.0118	0.0604	0.2718
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0118	0.0604	0.2718
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0168	0.0552
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0142	0.0756	0.3403

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	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: CHEMBL1736533
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 722955