TDR Targets

Basic information

Technical information

TDR Targets ID: 1553421
Name: N-(2-fluorophenyl)piperidine-1-carbothioamide
MW: 238.324 | Formula: C12H15FN2S
H donors: 0 H acceptors: 0 LogP: 3.09 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: SC(=Nc1ccccc1F)N1CCCCC1
InChi: 1S/C12H15FN2S/c13-10-6-2-3-7-11(10)14-12(16)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2,(H,14,16)
InChiKey: QBPJONIDRCVFLS-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-(2-fluorophenyl)-1-piperidinecarbothioamide
4378-32-9
MLS000681206
SMR000269464
ZINC00110062
Maybridge1_007710

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
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0237	0.185	0.8124
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0118	0.0789	0.0668
Trichomonas vaginalis	alpha-glucosidase, putative	0.0118	0.0789	0.0605
Brugia malayi	RNA binding protein	0.0062	0.0287	0.0093
Schistosoma mansoni	alpha glucosidase	0.0267	0.2117	0.3343
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0203	0.1547	0.2443
Echinococcus granulosus	non lysosomal glucosylceramidase	0.0203	0.1547	0.2092
Echinococcus granulosus	neutral alpha glucosidase AB	0.0267	0.2117	0.2863
Brugia malayi	Alpha-L-fucosidase family protein	0.0414	0.3427	0.3296
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0287	0.0453
Echinococcus granulosus	bile acid beta glucosidase	0.0203	0.1547	0.2092
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0287	0.0453
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0267	0.2117	0.196
Loa Loa (eye worm)	glycosyl hydrolase family 2	0.0056	0.0234	0.0039
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.115	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0858	0.7395	0.7343
Schistosoma mansoni	phosphorylase B kinase beta kpbb	0.0069	0.0355	0.056
Brugia malayi	Ceramide glucosyltransferase	0.026	0.2059	0.19
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0287	0.0093
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0414	0.3427	0.4634
Loa Loa (eye worm)	hypothetical protein	0.0363	0.2975	0.2835
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0355	0.0162
Trichomonas vaginalis	glucosylceramidase, putative	0.0755	0.647	0.64
Loa Loa (eye worm)	hypothetical protein	0.0546	0.4606	0.4499
Trichomonas vaginalis	glucosylceramidase, putative	0.115	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0287	0.0453
Brugia malayi	hypothetical protein	0.0069	0.0355	0.0162
Brugia malayi	TAR-binding protein	0.0062	0.0287	0.0093
Schistosoma mansoni	ceramide glucosyltransferase	0.026	0.2059	0.3251
Echinococcus granulosus	beta galactosidase	0.0363	0.2975	0.4023
Loa Loa (eye worm)	alpha-L-fucosidase	0.0414	0.3427	0.3296
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0118	0.0789	0.0605
Trypanosoma cruzi	hypothetical protein, conserved	0.0267	0.2117	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0287	0.0093
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0267	0.2117	0.196
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0287	0.0388
Schistosoma mansoni	alpha-glucosidase	0.0739	0.6334	1
Plasmodium vivax	hypothetical protein, conserved	0.0111	0.0726	0.5
Trichomonas vaginalis	alpha-glucosidase, putative	0.0267	0.2117	0.196
Echinococcus granulosus	ceramide glucosyltransferase	0.026	0.2059	0.2784
Echinococcus multilocularis	non lysosomal glucosylceramidase	0.0203	0.1547	0.2092
Schistosoma mansoni	hypothetical protein	0.0399	0.3295	0.5203
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0181	0.1355	0.1183
Echinococcus multilocularis	phosphorylase b kinase regulatory	0.0069	0.0355	0.0479
Loa Loa (eye worm)	ceramide glucosyltransferase	0.026	0.2059	0.19
Trichomonas vaginalis	glucosylceramidase, putative	0.0755	0.647	0.64
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0118	0.0789	0.0605
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0267	0.2117	0.2863
Leishmania major	alpha glucosidase II subunit, putative	0.0267	0.2117	1
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.0355	0.0162
Echinococcus granulosus	lysosomal alpha glucosidase	0.0858	0.7395	1
Loa Loa (eye worm)	myosin heavy chain	0.0069	0.0355	0.0162
Brugia malayi	Glycosyl hydrolases family 2, sugar binding domain containing protein	0.0056	0.0234	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0355	0.0162
Echinococcus multilocularis	beta galactosidase	0.0363	0.2975	0.4023
Trichomonas vaginalis	glucosylceramidase, putative	0.115	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0118	0.0789	0.0605
Trypanosoma brucei	glucosidase, putative	0.0267	0.2117	1
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.0355	0.0162
Echinococcus granulosus	phosphorylase b kinase regulatory	0.0069	0.0355	0.0479
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0287	0.0453
Trichomonas vaginalis	alpha-glucosidase, putative	0.0267	0.2117	0.196
Onchocerca volvulus		0.0695	0.5933	0.9122
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0267	0.2117	0.196
Schistosoma mansoni	alpha-l-fucosidase	0.0414	0.3427	0.541
Schistosoma mansoni	hypothetical protein	0.0151	0.1081	0.1706
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0118	0.0789	0.071
Giardia lamblia	Ceramide glucosyltransferase	0.0118	0.0789	0.5
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0118	0.0789	0.0605
Brugia malayi	hypothetical protein	0.0069	0.0355	0.0162
Trichomonas vaginalis	glucosylceramidase, putative	0.0755	0.647	0.64
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0355	0.0162
Trichomonas vaginalis	beta-galactosidase, putative	0.0159	0.1153	0.0977
Echinococcus multilocularis	dnaJ subfamily B	0.0399	0.3295	0.4456
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0958	0.0778
Trichomonas vaginalis	alpha-glucosidase, putative	0.0118	0.0789	0.0605
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0203	0.1547	0.2443
Trichomonas vaginalis	alpha-glucosidase, putative	0.0267	0.2117	0.196
Trichomonas vaginalis	alpha-glucosidase, putative	0.0118	0.0789	0.0605
Trichomonas vaginalis	glycoside hydrolase, putative	0.0254	0.2	0.1841
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.0355	0.0162
Trichomonas vaginalis	glucosylceramidase, putative	0.0755	0.647	0.64
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0267	0.2117	1
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0414	0.3427	0.4634
Trichomonas vaginalis	glucosylceramidase, putative	0.115	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0755	0.647	0.64
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0287	0.0388
Schistosoma mansoni	phosphorylase B kinase alpha kpb1	0.0069	0.0355	0.056
Schistosoma mansoni	beta-mannosidase	0.0052	0.0196	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0355	0.0162
Trichomonas vaginalis	alpha-glucosidase, putative	0.0118	0.0789	0.0605
Trichomonas vaginalis	glucosylceramidase, putative	0.0755	0.647	0.64
Echinococcus granulosus	dnaJ subfamily B	0.0399	0.3295	0.4456
Brugia malayi	phosphorylase B kinase beta regulatory chain	0.0069	0.0355	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0287	0.0453
Echinococcus multilocularis	phosphorylase b kinase regulatory	0.0069	0.0355	0.0479
Trichomonas vaginalis	glucosylceramidase, putative	0.0795	0.6833	0.677
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0267	0.2117	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0858	0.7395	0.7343
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0237	0.185	0.1687
Schistosoma mansoni	ceramide glucosyltransferase	0.026	0.2059	0.3251
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0266	0.042
Echinococcus granulosus	phosphorylase b kinase regulatory	0.0069	0.0355	0.0479
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0267	0.2117	0.196
Trichomonas vaginalis	glucosylceramidase, putative	0.115	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0755	0.647	0.64
Schistosoma mansoni	beta-galactosidase	0.0363	0.2975	0.4698
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0287	0.0093
Mycobacterium ulcerans	alpha-L-fucosidase	0.0414	0.3427	1
Brugia malayi	phosphorylase B kinase alpha regulatory chain	0.0069	0.0355	0.0162
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0287	0.0093
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0267	0.2117	0.196
Mycobacterium tuberculosis	Conserved protein	0.0069	0.0355	0.5
Onchocerca volvulus	Glucosylceramidase homolog	0.0755	0.647	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0795	0.6833	0.677
Trichomonas vaginalis	alpha-glucosidase, putative	0.0118	0.0789	0.0605
Trichomonas vaginalis	alpha-glucosidase, putative	0.0267	0.2117	0.196
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0181	0.1355	0.1183
Trichomonas vaginalis	glucosylceramidase, putative	0.115	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.115	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0159	0.1153	0.0977
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0789	0.0605
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0858	0.7395	1
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.026	0.2059	0.2787
Schistosoma mansoni	alpha-glucosidase	0.0739	0.6334	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0858	0.7395	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0267	0.2117	0.196
Echinococcus multilocularis	bile acid beta glucosidase	0.0203	0.1547	0.2092
Echinococcus multilocularis	ceramide glucosyltransferase	0.026	0.2059	0.2784
Trypanosoma cruzi	hypothetical protein, conserved	0.0267	0.2117	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0111	0.0726	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.0787 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	2.2387 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 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)	70.7946 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
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1881059

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 1553421