TDR Targets

Basic information

Technical information

TDR Targets ID: 1455253
Name: 2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-y l)acetamide
MW: 239.337 | Formula: C11H17N3OS
H donors: 1 H acceptors: 2 LogP: 1.81 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCN(CC1)CC(=O)Nc1nccs1
InChi: 1S/C11H17N3OS/c1-9-2-5-14(6-3-9)8-10(15)13-11-12-4-7-16-11/h4,7,9H,2-3,5-6,8H2,1H3,(H,12,13,15)
InChiKey: QGYORQFNMRQKJA-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

2-(4-methyl-1-piperidyl)-N-thiazol-2-yl-acetamide
2-(4-methyl-1-piperidinyl)-N-(2-thiazolyl)acetamide
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)ethanamide
IVK/1160431
2-(4-methyl-1-piperidinyl)-N-1,3-thiazol-2-ylacetamide
MLS001000493
SMR000498372

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0175	0.2963	0.5284
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0175	0.2963	0.5284
Schistosoma mansoni	hypothetical protein	0.0175	0.2963	0.4394
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.5608	0.8316
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.2914	0.5
Schistosoma mansoni	hypothetical protein	0.0175	0.2963	0.4394
Brugia malayi	hypothetical protein	0.0025	0.0178	0.0178
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Loa Loa (eye worm)	hypothetical protein	0.0553	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0317	0.5608	0.5608
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0178	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0178	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0175	0.2963	0.2963
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0178	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0553	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.5608	0.8316
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0317	0.5608	0.5608
Brugia malayi	TAR-binding protein	0.0317	0.5608	0.5608
Echinococcus multilocularis	tar DNA binding protein	0.0317	0.5608	1
Schistosoma mansoni	hypothetical protein	0.0175	0.2963	0.4394
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0175	0.2963	0.5284
Schistosoma mansoni	hypothetical protein	0.0378	0.6743	1
Brugia malayi	Latrophilin receptor protein 2	0.0175	0.2963	0.2963
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Schistosoma mansoni	hypothetical protein	0.0175	0.2963	0.4394
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.2914	0.5
Brugia malayi	RNA binding protein	0.0317	0.5608	0.5608
Brugia malayi	hypothetical protein	0.0016	0.001	0.001
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0178	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0178	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.1941	0.1941
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.5608	0.8316
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.2914	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.6274	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2963	0.2963
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.5608	0.8316
Echinococcus granulosus	GPCR family 2	0.0175	0.2963	0.5284
Brugia malayi	RNA recognition motif domain containing protein	0.0317	0.5608	0.5608
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Echinococcus granulosus	tar DNA binding protein	0.0317	0.5608	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Echinococcus multilocularis	GPCR, family 2	0.0175	0.2963	0.5284
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0178	1
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.5608	0.8316
Loa Loa (eye worm)	RNA binding protein	0.0317	0.5608	0.5608
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0175	0.2963	0.2963
Brugia malayi	MH2 domain containing protein	0.012	0.1941	0.1941
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0178	1
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.1941	0.1941
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.6274	0.5
Loa Loa (eye worm)	hypothetical protein	0.0378	0.6743	0.6743
Brugia malayi	latrophilin 2 splice variant baaae	0.0378	0.6743	0.6743
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0175	0.2963	0.5284
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6274	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0178	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0553	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.122 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	22.3872 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)	125.8925 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1613676

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1455253