TDR Targets

Basic information

Technical information

TDR Targets ID: 161037
Name: N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-2-phe nylacetamide
MW: 308.331 | Formula: C18H16N2O3
H donors: 1 H acceptors: 2 LogP: 2.74 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1c1cnco1)NC(=O)Cc1ccccc1
InChi: 1S/C18H16N2O3/c1-22-16-10-14(7-8-15(16)17-11-19-12-23-17)20-18(21)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,20,21)
InChiKey: FVMPOTYRHZJMAJ-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-(3-methoxy-4-oxazol-5-yl-phenyl)-2-phenyl-acetamide
N-[3-methoxy-4-(5-oxazolyl)phenyl]-2-phenylacetamide
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-2-phenyl-ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	IMP (inosine 5'-monophosphate) dehydrogenase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania mexicana	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania major	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania infantum	guanosine monophosphate reductase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium berghei	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium knowlesi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Toxoplasma gondii	IMP dehydrogenas	Get druggable targets OG5_126887	All targets in OG5_126887
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania major	guanosine monophosphate reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	Get druggable targets OG5_126887	All targets in OG5_126887
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania donovani	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Loa Loa (eye worm)	IMP dehydrogenase 1	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	guanosine nucleotide biosynthesis	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania infantum	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	N terminus of Inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei gambiense	inosine-5-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma congolense	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium yoelii	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Cryptosporidium hominis	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Theileria parva	Inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Babesia bovis	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Neospora caninum	hypothetical protein	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	guanosine nucleotide biosynthesis	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	N terminus of Inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania mexicana	guanosine monophosphate reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania braziliensis	guanosine monophosphate reductase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Cryptosporidium parvum	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	Get druggable targets OG5_126887	All targets in OG5_126887
Schistosoma japonicum	ko:K00088 IMP dehydrogenase [EC1.1.1.205], putative	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania donovani	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei gambiense	inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania braziliensis	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887

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	beta LACTamase domain containing family member	0.0037	0.046	0.098
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0092	0.227	0.4836
Loa Loa (eye worm)	hypothetical protein	0.0037	0.046	0.046
Brugia malayi	hypothetical protein	0.0035	0.0374	0.0374
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0092	0.227	0.9566
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0104	0.2686	0.2686
Echinococcus multilocularis	geminin	0.0164	0.4694	1
Schistosoma mansoni	hypothetical protein	0.0164	0.4694	0.4694
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.046	0.5
Loa Loa (eye worm)	hypothetical protein	0.0323	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0038	0.0478	0.1018
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0374	0.0374
Entamoeba histolytica	hypothetical protein	0.0035	0.0374	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.046	0.046
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.005	0.0871	0.0609
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0095	0.2373	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0092	0.227	0.227
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0039	0.0524	0.0524
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0095	0.2373	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2686	0.2686
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0478	0.0478
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.046	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0038	0.0478	0.1018
Onchocerca volvulus		0.0037	0.046	0.046
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0095	0.2373	1
Echinococcus multilocularis	transcription factor eb	0.0105	0.2703	0.5759
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.046	0.5
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0095	0.2373	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0092	0.227	0.2686
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0374	0.0797
Loa Loa (eye worm)	hypothetical protein	0.0037	0.046	0.046
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.3074	0.3074
Loa Loa (eye worm)	hypothetical protein	0.0037	0.046	0.046
Echinococcus granulosus	geminin	0.0164	0.4694	1
Toxoplasma gondii	IMP dehydrogenas	0.0095	0.2373	1
Loa Loa (eye worm)	GMP reductase	0.0039	0.0524	0.0524
Trypanosoma cruzi	GMP reductase	0.0095	0.2373	1
Brugia malayi	beta-lactamase family protein	0.0037	0.046	0.046
Schistosoma mansoni	hypothetical protein	0.0033	0.0313	0.0313
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0095	0.2373	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.046	0.046
Schistosoma mansoni	hypothetical protein	0.0164	0.4694	0.4694
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0038	0.0478	0.1018
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0045	0.0712	0.3001
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0095	0.2373	0.2839
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0092	0.227	0.9566
Onchocerca volvulus		0.0323	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0038	0.0478	0.1018
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0323	1	1
Echinococcus granulosus	transcription factor eb	0.0105	0.2703	0.5759
Mycobacterium ulcerans	lipase LipD	0.0037	0.046	0.1939
Mycobacterium ulcerans	beta-lactamase	0.0037	0.046	0.1939
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0092	0.227	0.9566
Schistosoma mansoni	hypothetical protein	0.0035	0.0374	0.0374
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0038	0.0478	0.0478
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0313	0.0313
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0092	0.227	0.9462
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0095	0.2373	1
Trypanosoma cruzi	GMP reductase	0.0095	0.2373	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0823	0.0823
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.046	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0092	0.227	0.4836
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0095	0.2373	1
Brugia malayi	MH2 domain containing protein	0.0116	0.3074	0.3074
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0095	0.2373	0.2373
Mycobacterium ulcerans	hypothetical protein	0.0037	0.046	0.1939
Onchocerca volvulus		0.0037	0.046	0.046
Leishmania major	guanosine monophosphate reductase	0.0095	0.2373	1
Brugia malayi	beta-lactamase family protein	0.0037	0.046	0.046
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0089	0.2185	0.9208
Loa Loa (eye worm)	hypothetical protein	0.0037	0.046	0.046
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0374	0.0797
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.046	0.1939
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0095	0.2373	0.2373
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0095	0.2373	0.2373
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.046	0.1939
Brugia malayi	GMP reductase	0.0039	0.0524	0.0524
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0823	0.0823
Entamoeba histolytica	hypothetical protein	0.0035	0.0374	0.5
Onchocerca volvulus	Putative GMP reductase	0.0039	0.0524	0.0524
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0823	0.0823
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0105	0.2703	0.2703
Loa Loa (eye worm)	hypothetical protein	0.0037	0.046	0.046
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0478	0.0478
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.3074	0.3074
Schistosoma mansoni	aldehyde dehydrogenase	0.0092	0.227	0.227
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0089	0.2185	1
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0039	0.0524	0.0524
Entamoeba histolytica	hypothetical protein	0.0035	0.0374	0.5
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0045	0.0712	0.1317
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.046	0.046
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0037	0.046	0.046
Loa Loa (eye worm)	hypothetical protein	0.0323	1	1
Brugia malayi	beta-lactamase	0.0037	0.046	0.046
Toxoplasma gondii	aldehyde dehydrogenase	0.0092	0.227	0.9462
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0089	0.2185	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0038	0.0478	0.0478
Onchocerca volvulus		0.03	0.921	0.921
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0095	0.2373	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.046	0.046
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0095	0.2373	0.5056
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.046	0.046
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.046	0.098
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0095	0.2373	0.5056
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.046	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.7199	1
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.005	0.0871	0.2145
Trypanosoma brucei	GMP reductase	0.0095	0.2373	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0823	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0313	0.0313
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0323	1	1
Onchocerca volvulus		0.0037	0.046	0.046
Entamoeba histolytica	hypothetical protein	0.0035	0.0374	0.5
Trichomonas vaginalis	esterase, putative	0.0037	0.046	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.97 uM	Inhibitory activity of compound was evaluated against the Inosine-5'-monophosphate dehydrogenase 2	ChEMBL.	12270168
IC50 (binding)	= 0.97 uM	Inhibitory activity of compound was evaluated against the Inosine-5'-monophosphate dehydrogenase 2	ChEMBL.	12270168
IC50 (functional)	< 1 uM	Inhibition of human T-lymphoblast CEM cell (ATCC) proliferation; At this concentration no inhibition was observed	ChEMBL.	12270168
IC50 (functional)	< 1 uM	Inhibition of human T-lymphoblast CEM cell (ATCC) proliferation; At this concentration no inhibition was observed	ChEMBL.	12270168

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12270168

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: CHEMBL419143
PubChem: 12093478

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 161037