TDR Targets

Basic information

Technical information

TDR Targets ID: 161263
Name: N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-met hylpyrrole-2-carboxamide
MW: 297.309 | Formula: C16H15N3O3
H donors: 1 H acceptors: 2 LogP: 1.88 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1c1cnco1)NC(=O)c1cccn1C
InChi: 1S/C16H15N3O3/c1-19-7-3-4-13(19)16(20)18-11-5-6-12(14(8-11)21-2)15-9-17-10-22-15/h3-10H,1-2H3,(H,18,20)
InChiKey: IIMIZSAAEGBAAW-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)-1-methyl-pyrrole-2-carboxamide
N-[3-methoxy-4-(5-oxazolyl)phenyl]-1-methyl-2-pyrrolecarboxamide
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methyl-pyrrole-2-carboxamide

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
Toxoplasma gondii	IMP dehydrogenas	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
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	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
Trypanosoma cruzi	GMP reductase	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
Theileria parva	Inosine-5'-monophosphate dehydrogenase, putative	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	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
Loa Loa (eye worm)	IMP dehydrogenase 1	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
Trypanosoma congolense	GMP reductase	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
Schistosoma mansoni	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
Candida albicans	N terminus of Inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei	GMP reductase	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
Babesia bovis	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
Candida albicans	guanosine nucleotide biosynthesis	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
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	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
Trypanosoma brucei gambiense	inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, 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
Leishmania infantum	guanosine monophosphate reductase, putative	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
Leishmania infantum	inosine-5-monophosphate dehydrogenase	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
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania donovani	GMP reductase	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
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
Leishmania major	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
Schistosoma japonicum	ko:K00088 IMP dehydrogenase [EC1.1.1.205], putative	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
Leishmania braziliensis	guanosine monophosphate reductase, putative	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
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	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
Leishmania mexicana	guanosine monophosphate reductase	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 multilocularis	inosine 5' monophosphate dehydrogenase 2	Get druggable targets OG5_126887	All targets in OG5_126887
Neospora caninum	hypothetical protein	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
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Schistosoma mansoni	tyrosine kinase	0.0164	0.4989	0.4714
Schistosoma mansoni	tyrosine kinase	0.0088	0.195	0.1508
Brugia malayi	Protein kinase domain containing protein	0.0052	0.052	0.052
Echinococcus multilocularis	heat shock protein	0.0071	0.1284	0.183
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0095	0.2219	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0289	1	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0088	0.195	0.3299
Brugia malayi	Common central domain of tyrosinase family protein	0.0289	1	1
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.005	0.0416	0.0954
Trypanosoma brucei	GMP reductase	0.0095	0.2219	1
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0095	0.2219	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0071	0.1284	0.5565
Echinococcus granulosus	epidermal growth factor receptor	0.0164	0.4989	1
Trypanosoma cruzi	GMP reductase	0.0095	0.2219	1
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0089	0.1994	1
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Loa Loa (eye worm)	heat shock protein 90	0.0071	0.1284	0.1284
Schistosoma mansoni	endoplasmin	0.0071	0.1284	0.0806
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0095	0.2219	0.1792
Loa Loa (eye worm)	hypothetical protein	0.0289	1	1
Brugia malayi	heat shock protein 90	0.0071	0.1284	0.1284
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Onchocerca volvulus		0.0289	1	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0057	0.0701	0.1584
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0089	0.1994	1
Trichomonas vaginalis	heat shock protein, putative	0.0071	0.1284	1
Plasmodium falciparum	heat shock protein 90	0.0071	0.1284	0.6094
Loa Loa (eye worm)	endoplasmin	0.0071	0.1284	0.1284
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0095	0.2219	0.2219
Schistosoma mansoni	heat shock protein	0.0071	0.1284	0.0806
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Echinococcus multilocularis	endoplasmin	0.0057	0.0701	0.0544
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0095	0.2219	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0057	0.0701	0.2387
Onchocerca volvulus		0.0289	1	1
Echinococcus multilocularis	heat shock protein 90	0.0057	0.0701	0.0544
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0289	1	1
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0057	0.0701	0.0405
Entamoeba histolytica	heat shock protein 90, putative	0.0071	0.1284	0.5
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0095	0.2219	0.3892
Brugia malayi	Endoplasmin precursor	0.0071	0.1284	0.1284
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0095	0.2219	1
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0089	0.1994	0.8869
Echinococcus granulosus	heat shock protein	0.0071	0.1284	0.171
Trypanosoma cruzi	Heat shock protein 83, putative	0.0071	0.1284	0.5565
Echinococcus multilocularis	heat shock protein 90	0.0071	0.1284	0.183
Treponema pallidum	heat shock protein 90	0.0057	0.0701	0.5
Echinococcus granulosus	heat shock protein 90	0.0071	0.1284	0.171
Trichomonas vaginalis	heat shock protein, putative	0.0057	0.0701	0.4732
Schistosoma mansoni	tyrosine kinase	0.0088	0.195	0.1508
Leishmania major	guanosine monophosphate reductase	0.0095	0.2219	1
Schistosoma mansoni	tyrosinase precursor	0.0289	1	1
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0095	0.2219	0.3802
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Trichomonas vaginalis	heat shock protein, putative	0.0057	0.0701	0.4732
Trypanosoma cruzi	heat shock protein 90, putative	0.0071	0.1284	0.5565
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0095	0.2219	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0071	0.1284	1
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Loa Loa (eye worm)	TK/INSR protein kinase	0.0052	0.052	0.052
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0088	0.195	0.32
Schistosoma mansoni	endoplasmin	0.0071	0.1284	0.0806
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0095	0.2219	1
Trypanosoma cruzi	GMP reductase	0.0095	0.2219	1
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Loa Loa (eye worm)	hypothetical protein	0.0289	1	1
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Loa Loa (eye worm)	tyrosinase 1	0.0289	1	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0289	1	1
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0289	1	1
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Onchocerca volvulus		0.0289	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0057	0.0701	0.4732
Schistosoma mansoni	tyrosinase precursor	0.0289	1	1
Schistosoma mansoni	tyrosine kinase	0.0087	0.1913	0.1469
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0095	0.2219	0.2219
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0052	0.052	0.0145
Onchocerca volvulus		0.0289	1	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0289	1	1
Mycobacterium ulcerans	heat shock protein 90	0.0057	0.0701	0.2387
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0095	0.2219	1
Echinococcus granulosus	endoplasmin	0.0057	0.0701	0.0405
Schistosoma mansoni	tyrosine kinase	0.0087	0.1913	0.1469
Brugia malayi	Furin-like cysteine rich region family protein	0.0164	0.4989	0.4989
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Trypanosoma cruzi	heat shock protein 85, putative	0.0057	0.0701	0.2799
Echinococcus multilocularis	insulin receptor	0.0052	0.052	0.0145
Trypanosoma cruzi	heat shock protein 85, putative	0.0071	0.1284	0.5565
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0095	0.2219	1
Echinococcus granulosus	epidermal growth factor receptor	0.0088	0.195	0.32
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0095	0.2219	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0164	0.4989	0.4989
Entamoeba histolytica	heat shock protein 90, putative	0.0071	0.1284	0.5
Leishmania major	heat shock protein 83-1	0.0071	0.1284	0.3841
Trypanosoma cruzi	heat shock protein 85, putative	0.0071	0.1284	0.5565
Schistosoma mansoni	tyrosine kinase	0.0087	0.1913	0.1469
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0289	1	1
Toxoplasma gondii	IMP dehydrogenas	0.0095	0.2219	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0057	0.0701	0.2799
Schistosoma mansoni	heat shock protein	0.0071	0.1284	0.0806
Echinococcus granulosus	heat shock protein 90	0.0057	0.0701	0.0405
Echinococcus multilocularis	epidermal growth factor receptor	0.0164	0.4989	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.89 uM	Inhibitory activity of compound was evaluated against the Inosine-5'-monophosphate dehydrogenase 2	ChEMBL.	12270168
IC50 (binding)	= 0.89 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: CHEMBL95382
PubChem: 22058495

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 161263