TDR Targets

Basic information

Technical information

TDR Targets ID: 1438936
Name: N-(2-ethylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1- ylethyl)benzimidazol-2-yl]sulfanylacetamide
MW: 422.543 | Formula: C23H26N4O2S
H donors: 1 H acceptors: 3 LogP: 4.1 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccccc1NC(=O)CSc1nc2c(n1CC(=O)N1CCCC1)cccc2
InChi: 1S/C23H26N4O2S/c1-2-17-9-3-4-10-18(17)24-21(28)16-30-23-25-19-11-5-6-12-20(19)27(23)15-22(29)26-13-7-8-14-26/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,24,28)
InChiKey: CQGDXHCFHDXJHG-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

N-(2-ethylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-acetamide
N-(2-ethylphenyl)-2-[[1-(2-oxo-2-1-pyrrolidinylethyl)-2-benzimidazolyl]thio]acetamide
N-(2-ethylphenyl)-2-[[1-(2-keto-2-pyrrolidin-1-yl-ethyl)benzimidazol-2-yl]thio]acetamide
N-(2-ethylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-ethanamide
MLS000528677
N-(2-Ethyl-phenyl)-2-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1H-benzoimidazol-2-ylsulfanyl]-acetamide
SMR000121152
ASN 06866016

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415

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
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.0119	0.21	0.2695
Brugia malayi	casein kinase 1, delta	0.0119	0.21	0.2695
Trypanosoma brucei	cdc2-related kinase 1	0.0134	0.2612	0.0986
Trichomonas vaginalis	CMGC family protein kinase	0.0164	0.363	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0149	0.311	0.3991
Loa Loa (eye worm)	hypothetical protein	0.0264	0.7041	0.9036
Echinococcus granulosus	dual specificity	0.0164	0.363	0.4658
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0271	0.729	1
Schistosoma mansoni	hypothetical protein	0.0058	0.0022	0.0022
Entamoeba histolytica	protein kinase, putative	0.0149	0.311	0.1946
Entamoeba histolytica	cell division protein kinase 2, putative	0.0134	0.2612	0.0986
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.0273	0.035
Brugia malayi	cell division control protein 2 homolog	0.0134	0.2612	0.3352
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.579	0.7431
Entamoeba histolytica	protein kinase domain containing protein	0.0149	0.311	0.1946
Loa Loa (eye worm)	hypothetical protein	0.0286	0.7792	1
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0164	0.363	0.2947
Echinococcus granulosus	cyclin dependent kinase 1	0.0134	0.2612	0.3352
Trichomonas vaginalis	CMGC family protein kinase	0.0164	0.363	1
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0164	0.363	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0134	0.2612	0.1399
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0149	0.311	0.1946
Echinococcus multilocularis	casein kinase I alpha	0.0119	0.21	0.2695
Trypanosoma brucei	protein kinase, putative	0.0149	0.311	0.1946
Brugia malayi	Protein kinase domain containing protein	0.0134	0.2612	0.3352
Echinococcus multilocularis	dual specificity	0.0271	0.729	0.9356
Entamoeba histolytica	protein kinase, putative	0.0164	0.363	0.2947
Trichomonas vaginalis	CMGC family protein kinase	0.0149	0.311	0.6601
Entamoeba histolytica	hypothetical protein	0.0271	0.729	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0271	0.729	0.9356
Echinococcus multilocularis	casein kinase i	0.0119	0.21	0.2695
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.0273	0.035
Echinococcus granulosus	casein kinase I delta	0.0119	0.21	0.2695
Echinococcus granulosus	casein kinase I alpha	0.0119	0.21	0.2695
Onchocerca volvulus		0.0149	0.311	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.7792	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0271	0.729	1
Brugia malayi	hypothetical protein	0.0286	0.7792	1
Entamoeba histolytica	protein kinase domain containing protein	0.0164	0.363	0.2947
Onchocerca volvulus		0.0119	0.21	0.6753
Echinococcus multilocularis	casein kinase I alpha	0.0119	0.21	0.2695
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.0273	0.035
Trypanosoma cruzi	casein kinase, putative	0.0119	0.21	0.0458
Echinococcus multilocularis	cyclin dependent kinase 5	0.0134	0.2612	0.3352
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.2612	0.3346
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0134	0.2612	0.3352
Trypanosoma brucei	cdc2-related kinase 3	0.0134	0.2612	0.0986
Echinococcus multilocularis	dual specificity	0.0164	0.363	0.4658
Trypanosoma cruzi	cdc2-related kinase 3	0.0134	0.2612	0.1399
Echinococcus granulosus	dual specificity	0.0164	0.363	0.4658
Echinococcus granulosus	casein kinase I alpha	0.0119	0.21	0.2695
Echinococcus granulosus	casein kinase I delta	0.0119	0.21	0.2695
Echinococcus granulosus	dual specificity	0.0164	0.363	0.4658
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.579	0.7431
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0164	0.363	0.4658
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0164	0.363	0.2947
Echinococcus multilocularis	cyclin dependent kinase 1	0.0134	0.2612	0.3352
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.7792	1
Brugia malayi	intracellular kinase	0.0149	0.311	0.3991
Trichomonas vaginalis	CMGC family protein kinase	0.0149	0.311	0.6601
Loa Loa (eye worm)	hypothetical protein	0.0264	0.7041	0.9036
Entamoeba histolytica	cell division protein kinase 2, putative	0.0134	0.2612	0.0986
Trichomonas vaginalis	CMGC family protein kinase	0.0164	0.363	1
Entamoeba histolytica	protein kinase domain containing protein	0.0149	0.311	0.1946
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0149	0.311	0.2315
Echinococcus multilocularis	protein kinase shaggy	0.0149	0.311	0.3991
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0149	0.311	1
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0149	0.311	0.311
Echinococcus multilocularis	cyclin dependent kinase 1	0.0134	0.2612	0.3352
Loa Loa (eye worm)	CK1/CK1/CK1-D protein kinase	0.0119	0.21	0.2695
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0271	0.729	1
Loa Loa (eye worm)	MBCTL1	0.0066	0.0273	0.035
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.0273	0.035
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0149	0.311	0.3991
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0134	0.2612	0.3352
Echinococcus granulosus	protein kinase shaggy	0.0149	0.311	0.3991
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0022	0.0028
Echinococcus multilocularis	casein kinase I delta	0.0119	0.21	0.2695
Echinococcus multilocularis	dual specificity	0.0164	0.363	0.4658
Trypanosoma cruzi	cdc2-related kinase 1	0.0134	0.2612	0.1399
Giardia lamblia	Kinase, CMGC GSK	0.0149	0.311	0.6601
Trypanosoma cruzi	casein kinase, putative	0.0119	0.21	0.0458
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0271	0.729	1
Schistosoma mansoni	serine/threonine protein kinase	0.0271	0.729	0.729
Loa Loa (eye worm)	hypothetical protein	0.0127	0.2363	0.3032
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0134	0.2612	0.0986
Schistosoma mansoni	serine/threonine protein kinase	0.0134	0.2612	0.2612
Trypanosoma cruzi	casein kinase, putative	0.0119	0.21	0.0458
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0164	0.363	0.3271
Giardia lamblia	Kinase, CMGC CDK	0.0134	0.2612	0.3346
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.2612	0.3346
Echinococcus granulosus	casein kinase i	0.0119	0.21	0.2695
Onchocerca volvulus		0.0058	0.0022	0.0071
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.0273	0.035
Echinococcus multilocularis	cyclin dependent kinase	0.0134	0.2612	0.3352
Giardia lamblia	Kinase, CMGC DYRK	0.0164	0.363	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0134	0.2612	0.3352
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0164	0.363	0.4658
Echinococcus multilocularis	casein kinase I alpha	0.0119	0.21	0.2695
Schistosoma mansoni	serine/threonine protein kinase	0.0119	0.21	0.21
Giardia lamblia	Kinase, CMGC GSK	0.0149	0.311	0.6601
Entamoeba histolytica	protein kinase, putative	0.0271	0.729	1
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0022	0.0022
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0134	0.2612	0.3352
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0149	0.311	0.3991
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0149	0.311	0.3991
Trypanosoma cruzi	cdc2-related kinase 1	0.0134	0.2612	0.1399
Entamoeba histolytica	protein kinase, putative	0.0271	0.729	1
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0134	0.2612	0.0986
Schistosoma mansoni	serine/threonine protein kinase	0.0134	0.2612	0.2612
Echinococcus granulosus	cyclin dependent kinase	0.0134	0.2612	0.3352
Onchocerca volvulus		0.0112	0.1851	0.5951
Plasmodium falciparum	protein kinase 5	0.0134	0.2612	0.5069
Brugia malayi	Protein kinase domain containing protein	0.0271	0.729	0.9356
Trichomonas vaginalis	CMGC family protein kinase	0.0164	0.363	1
Trichomonas vaginalis	CMGC family protein kinase	0.0164	0.363	1
Trypanosoma cruzi	casein kinase, putative	0.0119	0.21	0.0458
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0149	0.311	0.6601
Giardia lamblia	Kinase, CMGC CDK	0.0134	0.2612	0.3346
Trypanosoma cruzi	casein kinase, putative	0.0119	0.21	0.0458
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.2612	0.3346
Trichomonas vaginalis	CMGC family protein kinase	0.0164	0.363	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0134	0.2612	0.3346
Plasmodium falciparum	glycogen synthase kinase 3	0.0149	0.311	1
Brugia malayi	casein kinase I	0.0119	0.21	0.2695
Echinococcus multilocularis	casein kinase I delta	0.0119	0.21	0.2695
Schistosoma mansoni	serine/threonine protein kinase	0.0164	0.363	0.363
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.0119	0.21	0.2695
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.0273	0.0273
Echinococcus granulosus	dual specificity	0.0271	0.729	0.9356
Trypanosoma cruzi	casein kinase, delta isoform, putative	0.0119	0.21	0.0458
Echinococcus granulosus	casein kinase I alpha	0.0119	0.21	0.2695
Echinococcus granulosus	cyclin dependent kinase 5	0.0134	0.2612	0.3352
Echinococcus multilocularis	dual specificity	0.0164	0.363	0.4658
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0273	0.035
Entamoeba histolytica	protein kinase domain containing protein	0.0271	0.729	1
Plasmodium vivax	protein kinase Crk2	0.0134	0.2612	0.5069
Schistosoma mansoni	protein kinase	0.0119	0.21	0.21

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0178 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.4716 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	1.9953 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.6234 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 Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	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: CHEMBL1603458

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 1438936