TDR Targets

Basic information

Technical information

TDR Targets ID: 1019509
Name: methyl 2-oxo-6-phenyl-4-pyrrolidin-1-ylcycloh ex-3-ene-1-carboxylate
MW: 299.364 | Formula: C18H21NO3
H donors: 0 H acceptors: 2 LogP: 2.74 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1C(=O)C=C(CC1c1ccccc1)N1CCCC1
InChi: 1S/C18H21NO3/c1-22-18(21)17-15(13-7-3-2-4-8-13)11-14(12-16(17)20)19-9-5-6-10-19/h2-4,7-8,12,15,17H,5-6,9-11H2,1H3
InChiKey: AACYEUSXTBMXAC-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

methyl 2-oxo-6-phenyl-4-pyrrolidin-1-yl-cyclohex-3-ene-1-carboxylate
2-oxo-6-phenyl-4-1-pyrrolidinyl-1-cyclohex-3-enecarboxylic acid methyl ester
2-keto-6-phenyl-4-pyrrolidin-1-yl-cyclohex-3-ene-1-carboxylic acid methyl ester

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
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.4699	1
Mycobacterium ulcerans	lipase LipD	0.0041	0.0523	0.5
Loa Loa (eye worm)	RNA binding protein	0.0146	0.4699	0.5368
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0303	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0523	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0523	0.0477
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0523	0.5
Plasmodium falciparum	flap endonuclease 1	0.0031	0.0116	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0037	0.0378	0.0306
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0108	0.3175	0.6675
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0246	0.8653	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0108	0.3175	0.6757
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0118	0.3559	0.4032
Brugia malayi	RNA recognition motif domain containing protein	0.0146	0.4699	0.5368
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0523	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0523	0.0477
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0523	0.0477
Echinococcus multilocularis	GPCR, family 2	0.0037	0.0378	0.057
Brugia malayi	TAR-binding protein	0.0146	0.4699	0.5368
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0303	0.0646
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0523	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0303	0.0646
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0523	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0146	0.4699	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0303	0.0219
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0523	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0108	0.3175	0.6757
Schistosoma mansoni	hypothetical protein	0.0037	0.0378	0.0804
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0118	0.3559	0.4032
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0118	0.3559	0.4032
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0037	0.0378	0.057
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0037	0.0378	0.057
Brugia malayi	latrophilin 2 splice variant baaae	0.008	0.2086	0.2308
Echinococcus granulosus	GPCR family 2	0.0037	0.0378	0.057
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0523	0.0477
Loa Loa (eye worm)	TAR-binding protein	0.0146	0.4699	0.5368
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0523	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0037	0.0378	0.057
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0037	0.0378	0.0306
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0523	1
Toxoplasma gondii	ABC1 family protein	0.0041	0.0523	1
Trichomonas vaginalis	set domain proteins, putative	0.0281	1	1
Giardia lamblia	Flap structure-specific endonuclease	0.0031	0.0116	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0523	0.0477
Echinococcus granulosus	tar DNA binding protein	0.0146	0.4699	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0523	0.0477
Trichomonas vaginalis	esterase, putative	0.0041	0.0523	0.0412
Schistosoma mansoni	hypothetical protein	0.0037	0.0378	0.0804
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0252	0.0296
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0037	0.0378	0.057
Onchocerca volvulus		0.0041	0.0523	0.0227
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0108	0.3175	0.6757
Entamoeba histolytica	Flap nuclease, putative	0.0031	0.0116	0.5
Brugia malayi	beta-lactamase family protein	0.0041	0.0523	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0523	0.0477
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0523	0.0412
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0523	0.0412
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.4699	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0108	0.3175	0.6675
Brugia malayi	beta-lactamase	0.0041	0.0523	0.0477
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0523	0.0889
Plasmodium vivax	SET domain protein, putative	0.0035	0.0303	0.4594
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0303	0.0408
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0303	0.0646
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0303	0.4594
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0523	0.0412
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0523	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0108	0.3175	0.6675
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0378	0.0306
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0261	0.9244	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0146	0.4699	0.5368
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0523	0.1114
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0523	0.0412
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.4699	1
Schistosoma mansoni	hypothetical protein	0.008	0.2086	0.444
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0108	0.3175	0.3583
Onchocerca volvulus		0.0041	0.0523	0.0227
Brugia malayi	Pre-SET motif family protein	0.0246	0.8653	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0523	0.0412
Onchocerca volvulus		0.0041	0.0523	0.0227
Brugia malayi	RNA binding protein	0.0146	0.4699	0.5368
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0523	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0523	0.0477
Schistosoma mansoni	hypothetical protein	0.0037	0.0378	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0118	0.3559	0.4032
Loa Loa (eye worm)	hypothetical protein	0.008	0.2086	0.2308
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0523	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0303	0.0408
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.4699	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0378	0.0804
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0108	0.3175	0.3583
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0303	0.0408
Leishmania major	hypothetical protein, conserved	0.0041	0.0523	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0523	0.0889
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0037	0.0378	0.0306
Brugia malayi	beta-lactamase family protein	0.0041	0.0523	0.0477
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0523	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0108	0.3175	0.6675
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.4699	1
Brugia malayi	Pre-SET motif family protein	0.0035	0.0303	0.0219

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Anticonvulsant activity against maximal electroshock-induced seizures in mouse at 300 mg/kg, ip	ChEMBL.	18715680
Activity (functional)		Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in mouse at 300 mg/kg, ip	ChEMBL.	18715680

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: CHEMBL518970

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 1019509