TDR Targets

Basic information

Technical information

TDR Targets ID: 346458
Name: 2-[2-[(1S)-1-[(2-methoxybenzoyl)amino]-2-meth ylpropyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxaz ole-4-carboxylic acid
MW: 415.463 | Formula: C20H21N3O5S
H donors: 2 H acceptors: 5 LogP: 3.47 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C(=O)N[C@H](c1scc(n1)c1oc(c(n1)C(=O)O)C)C(C)C
InChi: 1S/C20H21N3O5S/c1-10(2)15(22-17(24)12-7-5-6-8-14(12)27-4)19-21-13(9-29-19)18-23-16(20(25)26)11(3)28-18/h5-10,15H,1-4H3,(H,22,24)(H,25,26)/t15-/m0/s1
InChiKey: RAZDPXQUAOSWPJ-HNNXBMFYSA-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-[2-[(1S)-1-[(2-methoxybenzoyl)amino]-2-methyl-propyl]thiazol-4-yl]-5-methyl-oxazole-4-carboxylic acid
2-[2-[(1S)-1-[[(2-methoxyphenyl)-oxomethyl]amino]-2-methylpropyl]-4-thiazolyl]-5-methyl-4-oxazolecarboxylic acid
2-[2-[(1S)-1-[(2-methoxyphenyl)carbonylamino]-2-methyl-propyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
5-methyl-2-[2-[(1S)-2-methyl-1-(o-anisoylamino)propyl]thiazol-4-yl]oxazole-4-carboxylic acid

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
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0075	0.0224	0.0887
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.004	0.0032	0.0032
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0075	0.0224	0.0887
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0075	0.0224	0.0887
Trypanosoma brucei	RNA helicase, putative	0.1836	1	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.004	0.0032	0.0032
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0075	0.0224	0.4501
Onchocerca volvulus		0.0075	0.0224	0.0887
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0075	0.0224	0.0224
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0075	0.0224	0.0887
Brugia malayi	RNase H family protein	0.049	0.2526	1
Echinococcus granulosus	glycine receptor subunit beta	0.0075	0.0224	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0114	0.0443	0.1755
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0075	0.0224	0.0887
Schistosoma mansoni	nAChR subunit	0.0075	0.0224	0.0224
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.0498	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.0075	0.0224	0.0887
Treponema pallidum	ribonuclease H (rnhA)	0.049	0.2526	0.5
Echinococcus multilocularis	nAChR subunit	0.004	0.0032	0.0128
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0075	0.0224	0.0887
Echinococcus multilocularis	glycine receptor subunit beta	0.0075	0.0224	0.0887
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0075	0.0224	0.0224
Brugia malayi	Zinc knuckle family protein	0.0042	0.0039	0.0154
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.0498	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0075	0.0224	0.0224
Echinococcus granulosus	glycine receptor subunit beta	0.0075	0.0224	0.0887
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0042	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0042	0.0039	0.0154
Brugia malayi	RNase H family protein	0.049	0.2526	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0114	0.0443	0.1755
Schistosoma mansoni	hypothetical protein	0.0042	0.0039	0.0039
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Brugia malayi	Cation transporter family protein	0.0075	0.0224	0.0887
Trypanosoma cruzi	ribonuclease H1, putative	0.049	0.2526	1
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0042	0.0039	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.0224	0.0887
Echinococcus granulosus	nAChR subunit	0.0075	0.0224	0.0887
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0075	0.0224	0.4501
Brugia malayi	hypothetical protein	0.0042	0.0039	0.0154
Brugia malayi	hypothetical protein	0.0042	0.0039	0.0154
Trypanosoma brucei	ingi protein (ORF1)	0.0531	0.2757	0.2728
Leishmania major	ribonuclease H1, putative	0.049	0.2526	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Schistosoma mansoni	phosphoglucomutase	0.049	0.2526	0.2526
Schistosoma mansoni	lipoxygenase	0.008	0.0252	0.0252
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0075	0.0224	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0039	0.0039
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0075	0.0224	0.0887
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0075	0.0224	0.4501
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	ACC-1 protein	0.0075	0.0224	0.4501
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0075	0.0224	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Onchocerca volvulus		0.0075	0.0224	0.0887
Trypanosoma brucei	ingi protein (ORF1)	0.0531	0.2757	0.2728
Brugia malayi	reverse transcriptase	0.0042	0.0039	0.0154
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.0224	0.0887
Brugia malayi	reverse transcriptase	0.0042	0.0039	0.0154
Onchocerca volvulus		0.004	0.0032	0.0128
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0075	0.0224	0.0887
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.0032	0.0128
Brugia malayi	hypothetical protein	0.0042	0.0039	0.0154
Onchocerca volvulus		0.0042	0.0039	0.0154
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0042	0.0039	0.0154
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0075	0.0224	0.0887
Brugia malayi	hypothetical protein	0.0042	0.0039	0.0154
Schistosoma mansoni	phosphoglucomutase	0.049	0.2526	0.2526
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Schistosoma mansoni	nAChR subunit	0.0075	0.0224	0.0224
Onchocerca volvulus		0.0075	0.0224	0.0887
Onchocerca volvulus		0.0075	0.0224	0.0887
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0075	0.0224	0.0887
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Echinococcus granulosus	RNA directed DNA polymerase	0.0042	0.0039	0.0154
Trypanosoma brucei	unspecified product	0.0531	0.2757	0.2728
Trypanosoma brucei	hypothetical protein, conserved	0.0531	0.2757	0.2728
Onchocerca volvulus		0.0075	0.0224	0.0887
Toxoplasma gondii	ribonuclease HI protein	0.049	0.2526	0.5
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0075	0.0224	0.0887
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0075	0.0224	0.0887
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0042	0.0039	0.0154
Onchocerca volvulus	Ribonuclease H1 homolog	0.049	0.2526	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Echinococcus multilocularis	glycine receptor subunit beta	0.0075	0.0224	0.0887
Loa Loa (eye worm)	LGC-31 protein	0.0075	0.0224	0.4501
Schistosoma mansoni	phosphoglucomutase	0.049	0.2526	0.2526
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0075	0.0224	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Trichomonas vaginalis	ribonuclease H1, putative	0.049	0.2526	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.0224	0.0887
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0075	0.0224	0.0887
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0075	0.0224	0.0887
Schistosoma mansoni	nAChR subunit	0.0075	0.0224	0.0224
Echinococcus granulosus	ribonuclease H1	0.049	0.2526	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0075	0.0224	0.0224
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0075	0.0224	0.0887
Schistosoma mansoni	nAChR subunit	0.0075	0.0224	0.0224
Schistosoma mansoni	lipoxygenase	0.0114	0.0443	0.0443
Brugia malayi	Zinc knuckle family protein	0.0042	0.0039	0.0154
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0042	0.0039	0.0154
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.004	0.0032	0.0128
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0042	0.0039	0.0154
Giardia lamblia	Ribonuclease H	0.049	0.2526	1
Schistosoma mansoni	nAChR subunit	0.0075	0.0224	0.0224
Brugia malayi	Cation transporter family protein	0.0075	0.0224	0.0887
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0075	0.0224	0.0887
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0075	0.0224	0.0224
Brugia malayi	Cation transporter family protein	0.0075	0.0224	0.0887
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Schistosoma mansoni	nAChR subunit	0.0075	0.0224	0.0224
Schistosoma mansoni	nAChR subunit	0.0075	0.0224	0.0224
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0075	0.0224	0.0224
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0075	0.0224	0.0887
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.0224	0.0887
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Entamoeba histolytica	hypothetical protein	0.004	0.0032	0.5
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0075	0.0224	0.0887
Echinococcus granulosus	nAChR subunit	0.004	0.0032	0.0128
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0075	0.0224	0.0887
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0075	0.0224	0.4501
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0075	0.0224	0.4501
Onchocerca volvulus	Putative nachr subunit	0.0075	0.0224	0.0887
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.0032	0.0128
Trypanosoma cruzi	ribonuclease H1, putative	0.049	0.2526	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Onchocerca volvulus		0.004	0.0032	0.0128
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.0224	0.0887
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0075	0.0224	0.0887
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0075	0.0224	0.0887
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0075	0.0224	0.0887
Echinococcus multilocularis	ribonuclease H1	0.049	0.2526	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0531	0.2757	0.2728
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.004	0.0032	0.0032
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0075	0.0224	0.0887
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.004	0.0032	0.0128
Onchocerca volvulus		0.0042	0.0039	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Brugia malayi	RNase H family protein	0.049	0.2526	1
Echinococcus multilocularis	nAChR subunit	0.0075	0.0224	0.0887
Mycobacterium tuberculosis	Possible maturase	0.0042	0.0039	0.5
Echinococcus granulosus	KRAB A domain containing protein	0.0042	0.0039	0.0154
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0075	0.0224	0.0887
Loa Loa (eye worm)	GABA receptor subunit	0.004	0.0032	0.0647
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.0224	0.0887
Onchocerca volvulus		0.0075	0.0224	0.0887
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0075	0.0224	0.0887
Echinococcus multilocularis	RNA directed DNA polymerase	0.0042	0.0039	0.0154
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.049	0.2526	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0075	0.0224	0.0887
Loa Loa (eye worm)	ACC-1 protein	0.0075	0.0224	0.4501
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0075	0.0224	0.0887
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0647
Brugia malayi	MH2 domain containing protein	0.0124	0.0498	0.1971
Schistosoma mansoni	protein kinase	0.0042	0.0039	0.0039
Brugia malayi	reverse transcriptase	0.0042	0.0039	0.0154
Brugia malayi	Pao retrotransposon peptidase family protein	0.0042	0.0039	0.0154
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0075	0.0224	0.0887
Schistosoma mansoni	hypothetical protein	0.0042	0.0039	0.0039
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0042	0.0039	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0224	0.4501
Trypanosoma brucei	ribonuclease H1	0.049	0.2526	0.2497

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Inhibitory activity against influenza B virus	ChEMBL.	16183283
CC50 (functional)	= 333.33 ug ml-1	Cytotoxicity in MDCK cells infected with influenza A H3N2 virus	ChEMBL.	16183283
IC50 (functional)	= 29.01 ug ml-1	Antiviral activity against influenza A H3N2 virus in MDCK cells	ChEMBL.	16183283

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: CHEMBL197424
PubChem: 11546143

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 346458