TDR Targets

Basic information

Technical information

TDR Targets ID: 1701909
Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methyl-3-ph enyl-1,2-oxazole-4-carboxylate
MW: 310.304 | Formula: C17H14N2O4
H donors: 1 H acceptors: 3 LogP: 2.82 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1c(C)onc1c1ccccc1)OCC(=O)c1ccc[nH]1
InChi: 1S/C17H14N2O4/c1-11-15(16(19-23-11)12-6-3-2-4-7-12)17(21)22-10-14(20)13-8-5-9-18-13/h2-9,18H,10H2,1H3
InChiKey: PYUMABYQIWAVCE-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-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate
5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester
5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester
ZINC04580669
T5689126

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
Brugia malayi	RNA recognition motif domain containing protein	0.0046	0.0272	0.0975
Mycobacterium tuberculosis	Probable hydrolase	0.0058	0.0447	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0447	0.1604
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.0272	0.1891
Brugia malayi	O-methyltransferase family protein	0.0066	0.0575	0.2066
Schistosoma mansoni	hypothetical protein	0.0054	0.0386	0.269
Loa Loa (eye worm)	TAR-binding protein	0.0046	0.0272	0.0975
Onchocerca volvulus		0.0066	0.0575	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0047	0.0279	0.6254
Toxoplasma gondii	ABC1 family protein	0.0058	0.0447	0.5
Leishmania major	DNA polymerase eta, putative	0.0047	0.0279	0.5715
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0058	0.0447	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0447	0.1604
Echinococcus multilocularis	chromobox protein 1	0.0063	0.0526	0.0526
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0061	0.0489	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0575	0.2066
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0058	0.0447	0.0447
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0073	0.0674	0.0821
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0109	0.207
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.0489	0.3406
Mycobacterium ulcerans	hypothetical protein	0.0058	0.0447	0.0486
Mycobacterium tuberculosis	Conserved protein	0.0058	0.0447	0.0545
Echinococcus granulosus	chromobox protein 1	0.0063	0.0526	0.3667
Brugia malayi	O-methyltransferase family protein	0.0066	0.0575	0.2066
Mycobacterium leprae	PROBABLE METHYLTRANSFERASE	0.0066	0.0575	1
Brugia malayi	Heterochromatin protein 1	0.0063	0.0526	0.189
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.004	0.0183	0.0183
Trichomonas vaginalis	D-aminoacylase, putative	0.0058	0.0447	0.849
Mycobacterium ulcerans	O-methyltransferase	0.0638	0.9202	1
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0109	0.207
Brugia malayi	chromobox protein homolog 3	0.0035	0.0109	0.0391
Schistosoma mansoni	hypothetical protein	0.004	0.0183	0.1277
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0046	0.0272	0.0975
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.004	0.0183	0.1277
Loa Loa (eye worm)	transcription factor SMAD2	0.0213	0.2785	1
Mycobacterium ulcerans	lipase LipD	0.0058	0.0447	0.0486
Trichomonas vaginalis	penicillin-binding protein, putative	0.0058	0.0447	0.849
Onchocerca volvulus		0.0058	0.0447	0.7244
Echinococcus multilocularis	tar DNA binding protein	0.0046	0.0272	0.0272
Mycobacterium ulcerans	esterase/lipase LipP	0.0058	0.0447	0.0486
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0058	0.0447	0.0545
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.0489	0.0489
Schistosoma mansoni	o-methyltransferase	0.0066	0.0575	0.4008
Echinococcus granulosus	tar DNA binding protein	0.0046	0.0272	0.1891
Trypanosoma brucei	DNA polymerase eta, putative	0.0047	0.0279	0.6254
Loa Loa (eye worm)	RNA binding protein	0.0046	0.0272	0.0975
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0061	0.0489	0.3406
Mycobacterium ulcerans	beta-lactamase	0.0058	0.0447	0.0486
Schistosoma mansoni	o-methyltransferase	0.0066	0.0575	0.4008
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.0447	1
Giardia lamblia	DINP protein human, muc B family	0.0028	0	0.5
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0073	0.0674	0.0732
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.004	0.0183	0.1277
Loa Loa (eye worm)	O-methyltransferase	0.0066	0.0575	0.2066
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0127	0.1494	0.5365
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0447	0.1604
Echinococcus granulosus	beta LACTamase domain containing family member	0.0058	0.0447	0.3113
Brugia malayi	MH2 domain containing protein	0.0213	0.2785	1
Trichomonas vaginalis	chromobox protein, putative	0.0063	0.0526	1
Schistosoma mansoni	chromobox protein	0.0063	0.0526	0.3667
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0058	0.0447	0.1604
Brugia malayi	beta-lactamase	0.0058	0.0447	0.1604
Mycobacterium tuberculosis	Probable methyltransferase	0.0066	0.0575	0.0702
Schistosoma mansoni	o-methyltransferase	0.0066	0.0575	0.4008
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0369	0.5137	0.6263
Schistosoma mansoni	chromobox protein	0.0063	0.0526	0.3667
Trichomonas vaginalis	D-aminoacylase, putative	0.0058	0.0447	0.849
Brugia malayi	beta-lactamase family protein	0.0058	0.0447	0.1604
Wolbachia endosymbiont of Brugia malayi	O-methyltransferase	0.0066	0.0575	0.5
Echinococcus multilocularis	dna polymerase eta	0.0047	0.0279	0.0279
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0035	0.0103	0.0126
Mycobacterium tuberculosis	Probable catechol-O-methyltransferase	0.0572	0.8203	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0127	0.1494	0.5365
Onchocerca volvulus		0.0058	0.0447	0.7244
Loa Loa (eye worm)	MH2 domain-containing protein	0.0213	0.2785	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0087	0.0888	0.3187
Schistosoma mansoni	DNA polymerase eta	0.0047	0.0279	0.1947
Echinococcus granulosus	GPCR family 2	0.004	0.0183	0.1277
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0127	0.1494	0.5365
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0428	0.1535
Mycobacterium ulcerans	methyltransferase	0.0066	0.0575	0.0625
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0058	0.0447	0.0545
Echinococcus granulosus	geminin	0.0123	0.1436	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0058	0.0447	0.3113
Brugia malayi	TAR-binding protein	0.0046	0.0272	0.0975
Brugia malayi	O-methyltransferase family protein	0.0066	0.0575	0.2066
Schistosoma mansoni	transcription factor LCR-F1	0.0054	0.0386	0.269
Trichomonas vaginalis	D-aminoacylase, putative	0.0058	0.0447	0.849
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0058	0.0447	0.3113
Echinococcus multilocularis	geminin	0.0123	0.1436	0.1436
Mycobacterium tuberculosis	Conserved protein	0.0058	0.0447	0.0545
Brugia malayi	beta-lactamase family protein	0.0058	0.0447	0.1604
Brugia malayi	Latrophilin receptor protein 2	0.004	0.0183	0.0658
Brugia malayi	hypothetical protein	0.0054	0.0386	0.1387
Trichomonas vaginalis	chromobox protein, putative	0.0038	0.0149	0.2838
Trichomonas vaginalis	penicillin-binding protein, putative	0.0058	0.0447	0.849
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0058	0.0447	0.0486
Entamoeba histolytica	hypothetical protein	0.0054	0.0386	1
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.0272	0.1891
Schistosoma mansoni	hypothetical protein	0.0123	0.1436	1
Mycobacterium ulcerans	lipoprotein LpqF	0.0035	0.0103	0.0112
Brugia malayi	RNA binding protein	0.0046	0.0272	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0279	0.1003
Mycobacterium leprae	conserved hypothetical protein	0.0058	0.0447	0.7278
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0061	0.0489	0.1756
Mycobacterium tuberculosis	Probable esterase LipL	0.0058	0.0447	0.0545
Trichomonas vaginalis	chromobox protein, putative	0.0038	0.0149	0.2838
Schistosoma mansoni	o-methyltransferase	0.0066	0.0575	0.4008
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0109	0.0391
Entamoeba histolytica	hypothetical protein	0.0054	0.0386	1
Trichomonas vaginalis	chromobox protein, putative	0.0063	0.0526	1
Schistosoma mansoni	hypothetical protein	0.004	0.0183	0.1277
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.0272	0.1891
Brugia malayi	ImpB/MucB/SamB family protein	0.0047	0.0279	0.1003
Mycobacterium leprae	Probable lipase LipE	0.0058	0.0447	0.7278
Echinococcus granulosus	chromobox protein 1	0.0063	0.0526	0.3667
Mycobacterium tuberculosis	Conserved protein	0.0058	0.0447	0.0545
Schistosoma mansoni	hypothetical protein	0.0123	0.1436	1
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.0272	0.1891
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.004	0.0183	0.0183
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.0489	0.0532
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0058	0.0447	0.1604
Schistosoma mansoni	hypothetical protein	0.0087	0.0888	0.6182
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1494	0.5365
Leishmania major	hypothetical protein, conserved	0.0058	0.0447	0.9138
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.0489	0.0532
Trichomonas vaginalis	esterase, putative	0.0058	0.0447	0.849
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0447	0.1604
Plasmodium vivax	hypothetical protein, conserved	0.0058	0.0447	0.5
Onchocerca volvulus		0.0066	0.0575	1
Trypanosoma brucei	beta lactamase	0.0035	0.0103	0.2308
Entamoeba histolytica	hypothetical protein	0.0054	0.0386	1
Schistosoma mansoni	hypothetical protein	0.004	0.0183	0.1277
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.004	0.0183	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0447	0.1604
Echinococcus multilocularis	chromobox protein 1	0.0063	0.0526	0.0526
Mycobacterium tuberculosis	Probable lipase LipE	0.0058	0.0447	0.0545
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0054	0.0386	0.0386
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0149	0.0867
Trypanosoma brucei	hypothetical protein, conserved	0.0058	0.0447	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0063	0.0526	0.189
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.0447	1
Schistosoma mansoni	hypothetical protein	0.004	0.0183	0.1277
Entamoeba histolytica	hypothetical protein	0.0054	0.0386	1
Loa Loa (eye worm)	beta-lactamase	0.0058	0.0447	0.1604
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0447	0.1604
Schistosoma mansoni	tar DNA-binding protein	0.0046	0.0272	0.1891
Loa Loa (eye worm)	hypothetical protein	0.004	0.0183	0.0658
Mycobacterium tuberculosis	Probable lipase LipD	0.0058	0.0447	0.0545
Onchocerca volvulus		0.0058	0.0447	0.7244
Loa Loa (eye worm)	latrophilin receptor protein 2	0.004	0.0183	0.0658
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0054	0.0386	0.269
Brugia malayi	O-methyltransferase	0.0066	0.0575	0.2066
Echinococcus multilocularis	GPCR, family 2	0.004	0.0183	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0888	0.3187
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0061	0.0489	1
Echinococcus granulosus	dna polymerase eta	0.0047	0.0279	0.1947

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	50.1187 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

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: CHEMBL2139487

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1701909