TDR Targets

Basic information

Technical information

TDR Targets ID: 146540
Name: [2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl] 2 -methoxybenzoate
MW: 355.368 | Formula: C17H13N3O4S
H donors: 1 H acceptors: 4 LogP: 2.77 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1
InChi: 1S/C17H13N3O4S/c1-23-12-6-3-2-5-11(12)16(22)24-13-7-4-8-18-14(13)15(21)20-17-19-9-10-25-17/h2-10H,1H3,(H,19,20,21)
InChiKey: YFYUEDBDPOAUSC-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-(thiazol-2-ylcarbamoyl)-3-pyridyl] 2-methoxybenzoate
2-methoxybenzoic acid [2-[oxo-(2-thiazolylamino)methyl]-3-pyridyl] ester
2-methoxybenzoic acid [2-(thiazol-2-ylcarbamoyl)-3-pyridyl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	methionine aminopeptidase	Starlite/ChEMBL	References
Saccharomyces cerevisiae	Map1p	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	Get druggable targets OG5_126721	All targets in OG5_126721
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium berghei	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	Get druggable targets OG5_126721	All targets in OG5_126721
Toxoplasma gondii	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Cryptosporidium hominis	methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1)	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium knowlesi	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Theileria parva	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium berghei	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium ulcerans	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium vivax	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma japonicum	ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative	Get druggable targets OG5_126721	All targets in OG5_126721
Candida albicans	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium vivax	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei gambiense	methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	Get druggable targets OG5_126721	All targets in OG5_126721
Toxoplasma gondii	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Neospora caninum	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Treponema pallidum	methionine aminopeptidase (map)	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma congolense	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Theileria parva	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania braziliensis	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium ulcerans	methionine aminopeptidase MapB	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium falciparum	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania donovani	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium knowlesi	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma japonicum	ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative	Get druggable targets OG5_126721	All targets in OG5_126721
Cryptosporidium parvum	methionine aminopeptidase with MYND finger at N-terminus	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Neospora caninum	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Brugia malayi	Methionine aminopeptidase protein type I	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium yoelii	methionine aminopeptidase, type I	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Babesia bovis	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania mexicana	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Neospora caninum	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Chlamydia trachomatis	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Toxoplasma gondii	methionine aminopeptidase, type i, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma japonicum	Methionine aminopeptidase 1, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Candida albicans	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium yoelii	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Loa Loa (eye worm)	methionine aminopeptidase type I	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium falciparum	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Babesia bovis	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania infantum	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	Get druggable targets OG5_126721	All targets in OG5_126721

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
Schistosoma mansoni	hypothetical protein	0.0148	0.3044	0.3044
Brugia malayi	nuclear receptor NHR-88	0.0043	0.0006	0.0035
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0106	0.1826	0.5
Entamoeba histolytica	hypothetical protein	0.0042	0	0.5
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0086	0.1255	0.5
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0148	0.3044	0.3044
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0043	0.0006	0.0035
Brugia malayi	ecdysteroid receptor	0.0043	0.0006	0.0035
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0043	0.0006	0.0006
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0086	0.1255	0.1255
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0043	0.0006	0.0035
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.0006	0.0035
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0395	0.2134
Onchocerca volvulus		0.0043	0.0006	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0043	0.0006	0.0006
Schistosoma mansoni	RAR-like nuclear receptor	0.0043	0.0006	0.0006
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0043	0.0006	0.0006
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0179	0.0978
Brugia malayi	photoreceptor-specific nuclear receptor	0.0043	0.0006	0.0035
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0086	0.1255	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0043	0.0006	0.0006
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.0006	0.0035
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0043	0.0006	0.0006
Onchocerca volvulus	Protein ultraspiracle homolog	0.0043	0.0006	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0043	0.0006	0.0006
Schistosoma mansoni	coup transcription factor	0.0043	0.0006	0.0006
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0106	0.1826	0.5
Brugia malayi	steroid hormone receptor	0.0043	0.0006	0.0035
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0179	0.0179
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.0106	0.1826	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0043	0.0006	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0043	0.0006	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0043	0.0006	0.0006
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.0006	0.0035
Chlamydia trachomatis	methionine aminopeptidase	0.0086	0.1255	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0043	0.0006	0.0006
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.0006	0.0006
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0106	0.1826	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0043	0.0006	0.0006
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0086	0.1255	0.1255
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0106	0.1826	0.1826
Brugia malayi	Steroid receptor seven-up type 2	0.0043	0.0006	0.0035
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0043	0.0006	0.0006
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.0106	0.1826	1
Echinococcus granulosus	FTZ F1 alpha	0.0043	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1633	0.8936
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0043	0.0006	0.0006
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0086	0.1255	0.5
Schistosoma mansoni	hypothetical protein	0.0391	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.0006	0.0006
Mycobacterium ulcerans	methionine aminopeptidase	0.0086	0.1255	0.5
Echinococcus multilocularis	geminin	0.0391	1	1
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0086	0.1255	0.1255
Trypanosoma brucei	methionine aminopeptidase, putative	0.0106	0.1826	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0043	0.0006	0.0006
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0179	0.0947
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.0006	0.0035
Entamoeba histolytica	hypothetical protein	0.0042	0	0.5
Toxoplasma gondii	methionine aminopeptidase	0.0106	0.1826	1
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0106	0.1826	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0043	0.0006	0.0006
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0395	0.2161
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0086	0.1255	0.5
Entamoeba histolytica	hypothetical protein	0.0042	0	0.5
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0106	0.1826	0.1826
Schistosoma mansoni	thyroid hormone receptor	0.0191	0.4268	0.4268
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0086	0.1255	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.0006	0.0006
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0395	0.2161
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0043	0.0006	0.0035
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0043	0.0006	0.0035
Brugia malayi	hypothetical protein	0.0099	0.1633	0.8939
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0043	0.0006	0.0035
Brugia malayi	nuclear hormone receptor	0.0043	0.0006	0.0035
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0179	0.0179
Echinococcus multilocularis	FTZ F1 alpha	0.0043	0.0006	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0179	0.0179
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0179	0.0179
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0043	0.0006	0.0035
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0006	0.0035
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0043	0.0006	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0179	0.0179
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0043	0.0006	0.0006
Schistosoma mansoni	nuclear hormone receptor	0.0043	0.0006	0.0006
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0043	0.0006	0.0006
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0179	0.0179
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.0006	0.0035
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0148	0.3044	0.3044
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0086	0.1255	0.5
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0106	0.1826	0.5
Schistosoma mansoni	eyes absent homolog	0.0099	0.1633	0.1633
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0043	0.0006	0.0035
Treponema pallidum	methionine aminopeptidase (map)	0.0086	0.1255	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0191	0.4268	0.4268
Schistosoma mansoni	thyroid hormone receptor	0.0191	0.4268	0.4268
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0043	0.0006	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0179	0.0179
Entamoeba histolytica	hypothetical protein	0.0042	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1633	0.8936
Schistosoma mansoni	hypothetical protein	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0395	0.2134
Brugia malayi	Methionine aminopeptidase protein type I	0.0106	0.1826	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.0006	0.0006
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0106	0.1826	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.0006	0.0035
Echinococcus granulosus	ecdysone induced protein 78C	0.0043	0.0006	0.0006
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0043	0.0006	0.0006

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.55 uM	Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae	ChEMBL.	12801227
IC50 (binding)	= 0.55 uM	Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae	ChEMBL.	12801227
IC50 (binding)	= 1.7 uM	Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli	ChEMBL.	12801227
IC50 (binding)	= 1.7 uM	Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli	ChEMBL.	12801227
Ratio (binding)	= 3.1	Selectivity of inhibitory activity of Methionine aminopeptidase 1 from Escherichia coli to Methionine aminopeptidase 1 from Saccharomyces cerevisiae	ChEMBL.	12801227

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: CHEMBL88599
PubChem: 11824414

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 146540