TDR Targets

Basic information

Technical information

TDR Targets ID: 375115
Name: 1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrr olidine-3-carboxamide
MW: 355.259 | Formula: C17H20Cl2N2O2
H donors: 1 H acceptors: 2 LogP: 3.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CC(=O)N(C1)C1CCCCC1)Nc1cc(Cl)cc(c1)Cl
InChi: 1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)
InChiKey: YUFADRZDHJKVOT-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

1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxo-pyrrolidine-3-carboxamide
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxo-3-pyrrolidinecarboxamide
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-keto-pyrrolidine-3-carboxamide
AIDS-349029
AIDS349029
Pyrrolidine-3-carboxamide, N-(3,5-dichlorophenyl)-1-cyclohexyl-5-oxo-
Oprea1_467376
A2265/0095404

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	Get druggable targets OG5_130466	All targets in OG5_130466
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium vivax	enoyl-acyl carrier protein reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium berghei	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium yoelii	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium knowlesi	enoyl-acyl carrier reductase, putative	Get druggable targets OG5_130466	All targets in OG5_130466
Trichomonas vaginalis	hypothetical protein	Get druggable targets OG5_130466	All targets in OG5_130466
Neospora caninum	enoyl-acyl carrier reductase, putative	Get druggable targets OG5_130466	All targets in OG5_130466
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium falciparum	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	Get druggable targets OG5_130466	All targets in OG5_130466

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	protein jagged 2	0.0254	0.0146	0.0214
Brugia malayi	Muscle positioning protein 4	0.0254	0.0146	0.0214
Echinococcus granulosus	neurogenic locus notch protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0254	0.0146	0.0214
Brugia malayi	Protein kinase domain containing protein	0.046	0.1029	0.1507
Echinococcus granulosus	glycoprotein Antigen 5	0.0525	0.1312	0.1921
Plasmodium falciparum	cysteine repeat modular protein 1	0.046	0.1029	0.1017
Brugia malayi	Delta serrate ligand family protein	0.0254	0.0146	0.0214
Brugia malayi	Calcium binding EGF domain containing protein	0.0254	0.0146	0.0214
Brugia malayi	notch-like transmembrane receptor	0.0254	0.0146	0.0214
Echinococcus granulosus	dihydrofolate reductase	0.0738	0.2224	0.3257
Echinococcus multilocularis	protein jagged 1	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Onchocerca volvulus		0.046	0.1029	0.1507
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0223	0.0014	0.5
Loa Loa (eye worm)	dihydrofolate reductase	0.0738	0.2224	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	neurogenic locus protein delta	0.0254	0.0146	0.0214
Brugia malayi	EGF-like domain containing protein	0.0254	0.0146	0.0214
Brugia malayi	GCC2 and GCC3 family protein	0.0254	0.0146	0.0214
Schistosoma mansoni	hypothetical protein	0.0254	0.0146	0.0214
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0559	0.1456	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0559	0.1456	0.2132
Brugia malayi	Trypsin family protein	0.0927	0.304	0.4451
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.2547	1	1
Toxoplasma gondii	EGF family domain-containing protein	0.0254	0.0146	0.0132
Schistosoma mansoni	notch	0.0254	0.0146	0.0214
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0927	0.304	0.4451
Echinococcus granulosus	Tolloid protein 1	0.0559	0.1456	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Chlamydia trachomatis	dihydrofolate reductase	0.0738	0.2224	1
Brugia malayi	EGF-like domain containing protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Schistosoma mansoni	notch	0.0254	0.0146	0.0214
Echinococcus granulosus	protein jagged 1	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	protein jagged 1	0.0254	0.0146	0.0214
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0738	0.2224	0.3243
Schistosoma mansoni	notch	0.0254	0.0146	0.0214
Giardia lamblia	High cysteine protein	0.0254	0.0146	0.5
Echinococcus multilocularis	thymidylate synthase	0.1809	0.6829	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0738	0.2224	0.3243
Toxoplasma gondii	PAN domain-containing protein	0.0401	0.0777	0.0764
Echinococcus granulosus	protein jagged 1	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	dihydrofolate reductase	0.0738	0.2224	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Mycobacterium tuberculosis	Hypothetical protein	0.0861	0.2753	0.4018
Echinococcus multilocularis	Tolloid protein 1	0.0559	0.1456	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0559	0.1456	0.2132
Brugia malayi	EGF-like domain containing protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	Notch2	0.0254	0.0146	0.0214
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1809	0.6829	1
Schistosoma mansoni	hypothetical protein	0.046	0.1029	0.1507
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1809	0.6829	1
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus granulosus	neurogenic locus notch protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0927	0.304	0.4451
Schistosoma mansoni	hypothetical protein	0.0254	0.0146	0.0214
Brugia malayi	Calcium binding EGF domain containing protein	0.0559	0.1456	0.2132
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.2547	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.0254	0.0146	0.0214
Brugia malayi	EGF-like domain containing protein	0.0254	0.0146	0.0214
Toxoplasma gondii	kringle domain-containing protein	0.046	0.1029	0.1017
Echinococcus granulosus	notch	0.0254	0.0146	0.0214
Brugia malayi	Kringle domain containing protein	0.046	0.1029	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	laminin	0.0559	0.1456	0.2132
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Onchocerca volvulus	Putative cubilin	0.0254	0.0146	0.0214
Echinococcus multilocularis	neurogenic locus notch protein	0.0254	0.0146	0.0214
Brugia malayi	dihydrofolate reductase family protein	0.0738	0.2224	0.3257
Brugia malayi	thymidylate synthase	0.1809	0.6829	1
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0559	0.1456	0.2132
Echinococcus granulosus	neurogenic locus notch protein 4	0.0254	0.0146	0.0214
Schistosoma mansoni	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus granulosus	laminin	0.0559	0.1456	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0927	0.304	0.4451
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.2547	1	1
Schistosoma mansoni	septate junction protein	0.0254	0.0146	0.0214
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0254	0.0146	0.0214
Schistosoma mansoni	hypothetical protein	0.0254	0.0146	0.0214
Brugia malayi	Calcium binding EGF domain containing protein	0.0254	0.0146	0.0214
Brugia malayi	Dihydrofolate reductase	0.0738	0.2224	0.3257
Onchocerca volvulus	Neurogenic locus notch homolog	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	Mastin	0.0525	0.1312	0.1921
Schistosoma mansoni	laminin gamma-3 chain	0.0254	0.0146	0.0214
Echinococcus granulosus	enteropeptidase	0.0525	0.1312	0.1921
Onchocerca volvulus	Arrow homolog	0.0559	0.1456	0.2132
Schistosoma mansoni	dihydrofolate reductase	0.0738	0.2224	0.3257
Schistosoma mansoni	notch	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus granulosus	thymidylate synthase	0.1809	0.6829	1
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Schistosoma mansoni	notch	0.0254	0.0146	0.0214
Echinococcus granulosus	tissue type plasminogen activator	0.046	0.1029	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0559	0.1456	0.2132
Echinococcus multilocularis	neural cadherin	0.0254	0.0146	0.0214
Echinococcus multilocularis	fibrillin 1	0.0559	0.1456	0.2132
Loa Loa (eye worm)	hypothetical protein	0.046	0.1029	0.1507
Toxoplasma gondii	PAN domain-containing protein	0.0401	0.0777	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	slit 2 protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	notch protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0559	0.1456	0.2132
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.2547	1	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1809	0.6829	1
Onchocerca volvulus		0.0707	0.2093	0.3065
Echinococcus multilocularis	fibropellin Ia	0.0254	0.0146	0.0214
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0254	0.0146	0.0214
Schistosoma mansoni	cell polarity protein	0.0254	0.0146	0.0214
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0559	0.1456	0.2132
Brugia malayi	Cadherin domain containing protein	0.0254	0.0146	0.0214
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0223	0.0014	0.002
Echinococcus granulosus	Mastin	0.0525	0.1312	0.1921
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0559	0.1456	0.2132
Onchocerca volvulus		0.0254	0.0146	0.0214
Echinococcus multilocularis	neurogenic locus notch protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	neurogenic locus protein delta	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Schistosoma mansoni	slit	0.0254	0.0146	0.0214
Brugia malayi	Calcium binding EGF domain containing protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0254	0.0146	0.0214
Echinococcus granulosus	delta-like protein 1	0.0254	0.0146	0.0214
Onchocerca volvulus		0.0254	0.0146	0.0214
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0525	0.1312	0.1921
Schistosoma mansoni	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	protein jagged 2	0.0254	0.0146	0.0214
Brugia malayi	Cadherin domain containing protein	0.0254	0.0146	0.0214
Echinococcus multilocularis	notch	0.0254	0.0146	0.0214
Onchocerca volvulus		0.0927	0.304	0.4451
Brugia malayi	EGF-like domain containing protein	0.0254	0.0146	0.0214
Loa Loa (eye worm)	TK/ROR protein kinase	0.046	0.1029	0.1507
Echinococcus granulosus	fibropellin Ia	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0559	0.1456	0.2132
Onchocerca volvulus	Slit protein homolog	0.0254	0.0146	0.0214
Onchocerca volvulus		0.0254	0.0146	0.0214
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0927	0.304	0.4451
Echinococcus granulosus	slit 2 protein	0.0254	0.0146	0.0214
Onchocerca volvulus		0.1809	0.6829	1
Trichomonas vaginalis	conserved hypothetical protein	0.0861	0.2753	1
Schistosoma mansoni	egf-like domain protein	0.0559	0.1456	0.2132
Schistosoma mansoni	hypothetical protein	0.0254	0.0146	0.0214
Echinococcus granulosus	neural cadherin	0.0254	0.0146	0.0214
Onchocerca volvulus		0.0254	0.0146	0.0214
Brugia malayi	Fibulin-1 precursor	0.0559	0.1456	0.2132
Echinococcus multilocularis	glycoprotein Antigen 5	0.0525	0.1312	0.1921
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.2547	1	0.5
Schistosoma mansoni	hypothetical protein	0.0254	0.0146	0.0214
Brugia malayi	EGF-like domain containing protein	0.0254	0.0146	0.0214
Mycobacterium ulcerans	thymidylate synthase	0.1809	0.6829	1
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214
Onchocerca volvulus		0.0254	0.0146	0.0214
Schistosoma mansoni	notch	0.0254	0.0146	0.0214
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0861	0.2753	0.1921
Loa Loa (eye worm)	thymidylate synthase	0.1809	0.6829	1
Echinococcus multilocularis	tissue type plasminogen activator	0.046	0.1029	0.1507
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.046	0.1029	0.1017
Echinococcus multilocularis	enteropeptidase	0.0525	0.1312	0.1921
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0559	0.1456	0.2132
Brugia malayi	hypothetical protein	0.0861	0.2753	0.403
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0738	0.2224	0.3257
Echinococcus granulosus	protein jagged 2	0.0254	0.0146	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0559	0.1456	0.2132
Brugia malayi	EGF-like domain containing protein	0.0254	0.0146	0.0214
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0559	0.1456	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0146	0.0214

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 200 nM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137
IC50 (binding)	= 200 nM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137
IC50 (binding)	= 8160 nM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137
IC50 (binding)	= 8160 nM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137
IC50 (binding)	= 0.39 uM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137
IC50 (binding)	= 0.39 uM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137

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

PubChem: 623482

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 375115