TDR Targets

Basic information

Technical information

TDR Targets ID: 1067956
Name: 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)- 5-oxopyrrolidine-3-carboxamide
MW: 351.828 | Formula: C17H22ClN3O3
H donors: 1 H acceptors: 2 LogP: 0.56 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CC(=O)N(C1)c1ccc(cc1)Cl)NCCN1CCOCC1
InChi: 1S/C17H22ClN3O3/c18-14-1-3-15(4-2-14)21-12-13(11-16(21)22)17(23)19-5-6-20-7-9-24-10-8-20/h1-4,13H,5-12H2,(H,19,23)
InChiKey: FXMJOLASLFXALA-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-(4-chlorophenyl)-N-(2-morpholinoethyl)-5-oxo-pyrrolidine-3-carboxamide
1-(4-chlorophenyl)-N-(2-morpholinoethyl)-5-oxo-3-pyrrolidinecarboxamide
1-(4-chlorophenyl)-5-keto-N-(2-morpholinoethyl)pyrrolidine-3-carboxamide
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-pyrrolidine-3-carboxamide
ASN 13782350
STK227260

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245

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	latrophilin 2 splice variant baaae	0.0041	0.0408	0.0408
Schistosoma mansoni	ap endonuclease	0.0087	0.1954	0.1954
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0087	0.1954	0.2722
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.1348	0.1348
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0087	0.1954	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.214	0.2368
Schistosoma mansoni	hypothetical protein	0.0168	0.4642	0.4642
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0132	0.3432	0.3797
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.054	0.0598
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1348	0.1348
Schistosoma mansoni	aldehyde dehydrogenase	0.0132	0.3432	0.3432
Loa Loa (eye worm)	hypothetical protein	0.012	0.3034	0.3034
Brugia malayi	beta-lactamase family protein	0.0035	0.0237	0.0237
Trichomonas vaginalis	ap endonuclease, putative	0.0087	0.1954	0.1759
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.1029	0.1029
Brugia malayi	acetyltransferase, GNAT family protein	0.0151	0.4079	0.4079
Brugia malayi	TAR-binding protein	0.0069	0.1348	0.1348
Brugia malayi	beta-lactamase	0.0035	0.0237	0.0237
Onchocerca volvulus	Huntingtin homolog	0.012	0.3034	0.7374
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0132	0.3432	0.5065
Schistosoma mansoni	ap endonuclease	0.0087	0.1954	0.1954
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0237	0.0237
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0237	0.0262
Schistosoma mansoni	hypothetical protein	0.0301	0.9037	0.9037
Entamoeba histolytica	hypothetical protein	0.0117	0.2934	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0147	0.3938	0.4358
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.214	0.214
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.214	0.2368
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0087	0.1954	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0237	0.0262
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.1029	0.1029
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.1029	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0237	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1029	0.1029
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0237	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0237	0.0237
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0237	0.0237
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.054	0.0311
Entamoeba histolytica	hypothetical protein	0.0117	0.2934	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.214	0.214
Onchocerca volvulus	Huntingtin homolog	0.012	0.3034	0.7374
Loa Loa (eye worm)	RNA binding protein	0.0069	0.1348	0.1348
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0151	0.4079	0.4079
Echinococcus multilocularis	snurportin 1	0.0301	0.9037	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0117	0.2934	0.3246
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0087	0.1954	0.1954
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.6545	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.3034	0.3034
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0087	0.1954	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.0417	0.2135
Brugia malayi	exodeoxyribonuclease III family protein	0.0087	0.1954	0.1954
Entamoeba histolytica	hypothetical protein	0.0117	0.2934	1
Schistosoma mansoni	transcription factor LCR-F1	0.0117	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0237	0.0237
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0151	0.4079	0.4513
Brugia malayi	hypothetical protein	0.012	0.3034	0.3034
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0237	0.0237
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0087	0.1954	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.214	0.2368
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0087	0.1954	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1348	0.1348
Brugia malayi	hypothetical protein	0.015	0.4031	0.4031
Toxoplasma gondii	exonuclease III APE	0.0087	0.1954	0.5694
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1348	0.1348
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0087	0.1954	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1348	0.1348
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0087	0.1954	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0237	0.0237
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0237	0.1211
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0301	0.9037	0.9037
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0237	0.0237
Echinococcus granulosus	geminin	0.0168	0.4642	0.5137
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0087	0.1954	0.6107
Schistosoma mansoni	hypothetical protein	0.0041	0.0408	0.0408
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0237	0.5
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0087	0.1954	0.2162
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.1348	0.1348
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.1348	0.1348
Schistosoma mansoni	hypothetical protein	0.0117	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0408	0.0408
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0087	0.1954	0.5375
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0132	0.3432	0.3272
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0117	0.2934	0.3246
Brugia malayi	RNA, U transporter 1	0.008	0.1722	0.1722
Schistosoma mansoni	hypothetical protein	0.0168	0.4642	0.4642
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.054	0.0311
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0087	0.1954	0.2162
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.054	0.1574
Loa Loa (eye worm)	hypothetical protein	0.015	0.4031	0.4031
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0087	0.1954	0.5
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.054	0.2764
Trichomonas vaginalis	ap endonuclease, putative	0.0087	0.1954	0.1759
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0132	0.3432	1
Brugia malayi	RNA binding protein	0.0069	0.1348	0.1348
Toxoplasma gondii	aldehyde dehydrogenase	0.0132	0.3432	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.1348	0.1348
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0237	0.0237
Schistosoma mansoni	aldehyde dehydrogenase	0.0132	0.3432	0.3432
Toxoplasma gondii	ABC1 family protein	0.0035	0.0237	0.069
Echinococcus granulosus	tar DNA binding protein	0.0069	0.1348	0.1492
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0237	0.0237
Entamoeba histolytica	hypothetical protein	0.0117	0.2934	1
Onchocerca volvulus		0.015	0.4031	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.214	0.2368
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.054	0.1574
Echinococcus multilocularis	geminin	0.0168	0.4642	0.5137
Brugia malayi	hypothetical protein	0.0117	0.2934	0.2934
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.214	0.214
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.214	0.214
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.1348	0.1492
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0237	0.1211
Brugia malayi	beta-lactamase family protein	0.0035	0.0237	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0237	0.0237
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0132	0.3432	0.3272
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0132	0.3432	0.3272
Echinococcus granulosus	snurportin 1	0.0301	0.9037	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0132	0.3432	0.3797
Loa Loa (eye worm)	acetyltransferase	0.0151	0.4079	0.4079
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0087	0.1954	0.1759
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.214	0.214

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2239 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	53.2326 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1868474

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 1067956