TDR Targets

Basic information

Technical information

TDR Targets ID: 1274338
Name: methyl N-[5-[(4-phenylpiperidin-1-yl)methyl]- 1,3-thiazol-2-yl]carbamate
MW: 331.433 | Formula: C17H21N3O2S
H donors: 1 H acceptors: 2 LogP: 2.98 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)Nc1ncc(s1)CN1CCC(CC1)c1ccccc1
InChi: 1S/C17H21N3O2S/c1-22-17(21)19-16-18-11-15(23-16)12-20-9-7-14(8-10-20)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,18,19,21)
InChiKey: XSSWBZATTHQFFN-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

methyl N-[5-[(4-phenyl-1-piperidyl)methyl]thiazol-2-yl]carbamate
N-[5-[(4-phenyl-1-piperidinyl)methyl]-2-thiazolyl]carbamic acid methyl ester
N-[5-[(4-phenyl-1-piperidyl)methyl]thiazol-2-yl]carbamic acid methyl ester
A2962/0124738
AG-205/41005300
methyl 5-[(4-phenyl-1-piperidinyl)methyl]-1,3-thiazol-2-ylcarbamate
MLS000547204
SMR000114246

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Rattus norvegicus	Protein O-GlcNAcase	Starlite/ChEMBL	References
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	meningioma expressed antigen 5 (hyaluronidase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K01262 X-Pro aminopeptidase [EC3.4.11.9], putative	Get druggable targets OG5_131612	All targets in OG5_131612
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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
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:K01197 hyaluronoglucosaminidase [EC3.2.1.35], putative	Get druggable targets OG5_131612	All targets in OG5_131612
Echinococcus granulosus	bifunctional protein NCOAT	Get druggable targets OG5_131612	All targets in OG5_131612
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
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	Hyaluronidase	Get druggable targets OG5_131612	All targets in OG5_131612
Echinococcus multilocularis	bifunctional protein NCOAT	Get druggable targets OG5_131612	All targets in OG5_131612
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
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	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	Bifunctional protein NCOAT, putative	Get druggable targets OG5_131612	All targets in OG5_131612
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	hyaluronidase	Get druggable targets OG5_131612	All targets in OG5_131612
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Hyaluronidase family protein	Get druggable targets OG5_131612	All targets in OG5_131612
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131612	All targets in OG5_131612
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	aminopeptidase P homologue (M24 family)	Get druggable targets OG5_131612	All targets in OG5_131612
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0258	0.444
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1871	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0459	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0298	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0143	0.1267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0258	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0138	0.1138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0344	0.6827
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0654	0.9393	0.9364
Schistosoma mansoni	hypothetical protein	0.0058	0.0539	0.0084
Schistosoma mansoni	Hyaluronidase	0.0654	0.9393	0.9364
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0053	0.0459	1
Entamoeba histolytica	hypothetical protein	0.0073	0.0754	1
Schistosoma mansoni	microtubule-associated protein tau	0.0695	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0258	0.444
Entamoeba histolytica	hypothetical protein	0.0073	0.0754	1
Echinococcus multilocularis	bifunctional protein NCOAT	0.0654	0.9393	0.9364
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0494	0.0039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0298	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0098	0.0018
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0053	0.0459	1
Loa Loa (eye worm)	hyaluronidase	0.0654	0.9393	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0143	0.1267
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1871	1
Giardia lamblia	GTOR	0.0053	0.0459	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0143	0.1267
Schistosoma mansoni	hypothetical protein	0.0073	0.0754	0.0309
Entamoeba histolytica	hypothetical protein	0.0073	0.0754	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0494	0.0037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0298	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0459	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0754	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3803	0.3743
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0053	0.0459	1
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0539	0.0084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0098	0.0018
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0494	0.0037
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0494	0.0037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0298	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0258	0.444
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0025	0.0045	0.0985
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0258	0.444
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1871	0.1581
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0098	0.0018
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0042	0.0299	0.6514
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0494	0.0037
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0494	0.0039
Brugia malayi	hypothetical protein	0.0286	0.3915	0.3868
Echinococcus granulosus	bifunctional protein NCOAT	0.0654	0.9393	0.9364
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0754	0.0309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0258	0.444
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0494	0.0037
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0539	0.0089
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.3915	0.3622
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0494	0.0037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0184	0.2387
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0039	0.0258	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0459	1
Echinococcus multilocularis	microtubule associated protein 2	0.0695	1	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0053	0.0459	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0053	0.0459	1
Loa Loa (eye worm)	hypothetical protein	0.0286	0.3915	0.3868
Brugia malayi	hypothetical protein	0.0148	0.1871	0.1581
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.3915	0.3622
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0098	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0298	0.556
Brugia malayi	Hyaluronidase family protein	0.0654	0.9393	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0053	0.0459	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0494	0.0037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0138	0.1138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0201	0.2856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0258	0.444
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0754	0.0309
Brugia malayi	hypothetical protein	0.0073	0.0754	0.033
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1871	0.1581
Entamoeba histolytica	hypothetical protein	0.0073	0.0754	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 10 uM	Inhibition of OGA in rat B35 cells after 16 hrs	ChEMBL.	25516783
IC50 (binding)	= 1 uM	Inhibition of human His-tagged OGA using fluorescein mono-beta-D-(2-deoxy-2-A/- acetyl) glucopyranoside as substrate after 60 mins by fluorescence assay	ChEMBL.	25516783
Potency (functional)	0.8913 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)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1379586

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1274338