TDR Targets

Basic information

Technical information

TDR Targets ID: 374011
Name: 1-cyclohexyl-N-(9-ethylcarbazol-3-yl)-5-oxopy rrolidine-3-carboxamide
MW: 403.517 | Formula: C25H29N3O2
H donors: 1 H acceptors: 2 LogP: 3.8 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c2ccc(cc2c2c1cccc2)NC(=O)C1CC(=O)N(C1)C1CCCCC1
InChi: 1S/C25H29N3O2/c1-2-27-22-11-7-6-10-20(22)21-15-18(12-13-23(21)27)26-25(30)17-14-24(29)28(16-17)19-8-4-3-5-9-19/h6-7,10-13,15,17,19H,2-5,8-9,14,16H2,1H3,(H,26,30)
InChiKey: CHRORNOPUHXOJZ-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-(9-ethylcarbazol-3-yl)-5-oxo-pyrrolidine-3-carboxamide
1-cyclohexyl-N-(9-ethyl-3-carbazolyl)-5-oxo-3-pyrrolidinecarboxamide
1-cyclohexyl-N-(9-ethylcarbazol-3-yl)-5-keto-pyrrolidine-3-carboxamide
AIDS-348974
AIDS348974
1-Cyclohexyl-N-(9-ethyl-9H-carbazol-3-yl)-5-oxopyrrolidine-3-carboxamide

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
Plasmodium yoelii	enoyl-acyl carrier 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 knowlesi	enoyl-acyl carrier reductase, putative	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
Neospora caninum	enoyl-acyl carrier reductase, putative	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
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
Wolbachia endosymbiont of Brugia malayi	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
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	Get druggable targets OG5_130466	All targets in OG5_130466
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
Plasmodium berghei	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Trichomonas vaginalis	hypothetical protein	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
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.1399	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0009	0.0157	0.0239
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0223	0.9088	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0015	0.0431	0.0666
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0009	0.0157	0.0239
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0009	0.0157	0.0239
Echinococcus granulosus	muscleblind protein	0.0159	0.6425	1
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0015	0.0431	0.0666
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0009	0.0157	0.0239
Loa Loa (eye worm)	oxidoreductase	0.0015	0.0431	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1399	0.2172
Brugia malayi	SRC-1	0.0009	0.0157	0.0239
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.1399	0.1117
Echinococcus granulosus	growth factor receptor bound protein 2	0.0007	0.0113	0.017
Echinococcus multilocularis	c src tyrosine kinase	0.0009	0.0157	0.0239
Mycobacterium ulcerans	lipase LipD	0.0038	0.1399	0.1117
Brugia malayi	Variant SH3 domain containing protein	0.0007	0.0113	0.017
Brugia malayi	Sex muscle abnormal protein 5	0.0007	0.0113	0.017
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.1399	0.1011
Schistosoma mansoni	tyrosine kinase	0.0009	0.0157	0.1123
Mycobacterium ulcerans	beta-lactamase	0.0038	0.1399	0.1117
Brugia malayi	beta-lactamase	0.0038	0.1399	0.2172
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.1399	0.1011
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0009	0.0157	0.0239
Trichomonas vaginalis	hypothetical protein	0.0223	0.9088	1
Mycobacterium leprae	Probable lipase LipE	0.0038	0.1399	0.1117
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0009	0.0157	0.0239
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0009	0.0157	0.1123
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.1399	0.1011
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1399	0.2172
Loa Loa (eye worm)	beta-lactamase	0.0038	0.1399	0.2172
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0223	0.9088	1
Mycobacterium ulcerans	hypothetical protein	0.0038	0.1399	0.1117
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.6425	1
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0015	0.0431	1
Brugia malayi	beta-lactamase family protein	0.0038	0.1399	0.2172
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0009	0.0157	0.0239
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0015	0.0431	0.0666
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.1399	0.1011
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.1399	0.1117
Onchocerca volvulus		0.0038	0.1399	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0007	0.0113	0.017
Brugia malayi	Muscleblind-like protein	0.0159	0.6425	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1399	0.2172
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0007	0.0113	0.017
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0009	0.0157	0.0239
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1399	0.1011
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1399	0.1011
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0009	0.0157	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0159	0.6425	1
Schistosoma mansoni	dihydropteridine reductase	0.0015	0.0431	0.3085
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0009	0.0157	0.0239
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0009	0.0157	0.0239
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0015	0.0431	0.0666
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0007	0.0113	0.0808
Brugia malayi	beta-lactamase family protein	0.0038	0.1399	0.2172
Brugia malayi	Variant SH3 domain containing protein	0.0007	0.0113	0.017
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0223	0.9088	1
Loa Loa (eye worm)	SRC-1	0.0009	0.0157	0.0239
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0223	0.9088	1
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.1399	0.1011
Onchocerca volvulus		0.0015	0.0431	0.3065
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0009	0.0157	0.0239
Schistosoma mansoni	tyrosine kinase	0.0009	0.0157	0.1123
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1399	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0009	0.0157	0.0239
Toxoplasma gondii	ABC1 family protein	0.0038	0.1399	0.1117
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.1399	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1399	0.2172
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0015	0.0431	0.0666
Echinococcus multilocularis	NCK adaptor protein	0.0007	0.0113	0.017
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0113	0.017
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1399	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0223	0.9088	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.1399	0.1011
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1399	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.1399	0.2172
Onchocerca volvulus		0.0038	0.1399	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0007	0.0113	0.0808
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0009	0.0157	0.0239
Schistosoma mansoni	tyrosine kinase	0.0009	0.0157	0.1123
Echinococcus granulosus	NCK adaptor protein	0.0007	0.0113	0.017
Schistosoma mansoni	tyrosine kinase	0.0009	0.0157	0.1123
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0007	0.0113	0.017
Schistosoma mansoni	tyrosine kinase	0.0005	0.0004	0.0028
Echinococcus granulosus	c src tyrosine kinase	0.0009	0.0157	0.0239
Schistosoma mansoni	growth factor receptor-bound protein	0.0007	0.0113	0.0808
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1399	0.1011
Onchocerca volvulus		0.0038	0.1399	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1399	0.2172
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0009	0.0157	0.0239
Echinococcus multilocularis	muscleblind protein	0.0159	0.6425	1
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0223	0.9088	1
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0015	0.0431	0.0666
Leishmania major	hypothetical protein, conserved	0.0038	0.1399	1
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0223	0.9088	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.1399	0.2172
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0009	0.0157	0.0239
Onchocerca volvulus		0.0015	0.0431	0.3065
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0015	0.0431	0.3085
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0009	0.0157	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0431	0.0666
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.1399	0.1011
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0223	0.9088	0.9047
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0009	0.0157	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1399	0.2172
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0009	0.0157	0.0239
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1399	1
Schistosoma mansoni	adapter molecule crk	0.0007	0.0113	0.0808
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.1399	0.2172
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.1399	0.1117
Brugia malayi	Tyrosine-protein kinase abl-1	0.0009	0.0157	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0159	0.6425	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0009	0.0157	0.0239
Schistosoma mansoni	nck2/grb4	0.0007	0.0113	0.0808
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.1399	0.2172

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.57 uM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137
IC50 (binding)	= 2.57 uM	Inhibition of Mycobacterium tuberculosis InhA	ChEMBL.	17034137
Inhibition (binding)	= 78 %	Inhibition of Mycobacterium tuberculosis InhA at 15 uM	ChEMBL.	17034137
Inhibition (binding)	= 78 %	Inhibition of Mycobacterium tuberculosis InhA at 15 uM	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

ChEMBL: CHEMBL213872
PubChem: 16072554

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 374011