TDR Targets

Basic information

Technical information

TDR Targets ID: 1253205
Name: 1-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine- 2,5-dione
MW: 229.235 | Formula: C12H11N3O2
H donors: 1 H acceptors: 3 LogP: 0.67 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCC(=O)N1c1ccc2c(c1)nc([nH]2)C
InChi: 1S/C12H11N3O2/c1-7-13-9-3-2-8(6-10(9)14-7)15-11(16)4-5-12(15)17/h2-3,6H,4-5H2,1H3,(H,13,14)
InChiKey: FQCVBCKSINXFKS-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-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-2,5-quinone
MLS000113629
SMR000109525

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Plasmodium vivax	vivapain-2	0.0258	0.43	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Brugia malayi	Cathepsin L-like precursor	0.0258	0.43	0.43
Brugia malayi	Pre-SET motif family protein	0.0251	0.4148	0.4148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Giardia lamblia	Cathepsin B precursor	0.0193	0.2719	0.5
Onchocerca volvulus		0.0258	0.43	0.7393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0177	0.2337	0.2565
Trypanosoma cruzi	cysteine proteinase, putative	0.0139	0.1422	0.1422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Schistosoma mansoni	cathepsin F (C01 family)	0.0177	0.2337	0.2337
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Trypanosoma cruzi	cysteine protease, putative	0.0139	0.1422	0.1422
Loa Loa (eye worm)	ctsf protein	0.0258	0.43	0.43
Schistosoma mansoni	cathepsin F (C01 family)	0.0258	0.43	0.43
Onchocerca volvulus		0.0258	0.43	0.7393
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0258	0.43	0.3355
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Echinococcus multilocularis	cathepsin L cysteine protease	0.0258	0.43	0.3355
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Entamoeba histolytica	cysteine proteinase, putative	0.0258	0.43	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0258	0.43	0.3355
Brugia malayi	cathepsin L-like precursor	0.0177	0.2337	0.2337
Brugia malayi	Cathepsin L-like precursor	0.0258	0.43	0.43
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Brugia malayi	Papain family cysteine protease containing protein	0.0258	0.43	0.43
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Echinococcus granulosus	cathepsin l1	0.0177	0.2337	0.1068
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0177	0.2337	0.2337
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0193	0.2719	0.4508
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0258	0.43	0.43
Entamoeba histolytica	cysteine proteinase, putative	0.0258	0.43	1
Echinococcus multilocularis	cysteine protease	0.0258	0.43	0.3355
Onchocerca volvulus		0.0258	0.43	0.7393
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0177	0.2337	0.2337
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0258	0.43	0.43
Trypanosoma cruzi	cysteine peptidase, putative	0.0258	0.43	0.43
Entamoeba histolytica	cysteine proteinase, putative	0.0177	0.2337	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0492	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0139	0.1422	0.1422
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0492	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0139	0.1422	0.1422
Loa Loa (eye worm)	hypothetical protein	0.0177	0.2337	0.2337
Echinococcus multilocularis	cysteine protease	0.0258	0.43	0.3355
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0139	0.1422	0.1422
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Onchocerca volvulus	Cathepsin L homolog	0.0258	0.43	0.7393
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0258	0.43	0.3355
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0258	0.43	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0177	0.2337	0.2565
Echinococcus multilocularis	cathepsin b	0.0492	1	1
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0258	0.43	0.43
Loa Loa (eye worm)	hypothetical protein	0.0492	1	1
Echinococcus granulosus	cathepsin l1	0.0258	0.43	0.3355
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Brugia malayi	Papain family cysteine protease containing protein	0.0139	0.1422	0.1422
Echinococcus granulosus	cathepsin b	0.0492	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0258	0.43	1
Loa Loa (eye worm)	cysteine protease	0.0258	0.43	0.43
Onchocerca volvulus		0.0258	0.43	0.7393
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Leishmania major	cysteine peptidase A (CPA)	0.0258	0.43	1
Toxoplasma gondii	cathepsin CPL	0.0258	0.43	1
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Giardia lamblia	Cathepsin B precursor	0.0193	0.2719	0.5
Brugia malayi	Cathepsin L-like precursor	0.0177	0.2337	0.2337
Onchocerca volvulus		0.0286	0.4992	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0258	0.43	0.3355
Giardia lamblia	Cathepsin B precursor	0.0193	0.2719	0.5
Onchocerca volvulus		0.0258	0.43	0.7393
Loa Loa (eye worm)	hypothetical protein	0.0177	0.2337	0.2337
Loa Loa (eye worm)	hypothetical protein	0.0258	0.43	0.43
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0193	0.2719	0.2719
Brugia malayi	Cathepsin L-like precursor	0.0258	0.43	0.43
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Plasmodium vivax	vivapain-3	0.0139	0.1422	0.3306
Loa Loa (eye worm)	cathepsin B	0.0193	0.2719	0.2719
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0139	0.1422	0.1422
Brugia malayi	Cathepsin L-like precursor	0.0258	0.43	0.43
Trypanosoma cruzi	cysteine proteinase, putative	0.0139	0.1422	0.1422
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0193	0.2719	0.3634
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Onchocerca volvulus	Cathepsin F homolog	0.0258	0.43	0.7393
Loa Loa (eye worm)	hypothetical protein	0.0177	0.2337	0.2337
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0258	0.43	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.4992	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Entamoeba histolytica	cysteine protease, putative	0.0258	0.43	1
Plasmodium vivax	vivapain-2	0.0258	0.43	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Trypanosoma cruzi	cysteine peptidase, putative	0.0258	0.43	0.43
Schistosoma mansoni	cathepsin F (C01 family)	0.0258	0.43	0.43
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0492	1	1
Onchocerca volvulus		0.0258	0.43	0.7393
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.4148	0.4148
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0193	0.2719	0.2719
Plasmodium vivax	unspecified product	0.0139	0.1422	0.3306
Trypanosoma cruzi	cruzipain precursor, putative	0.0258	0.43	0.43
Onchocerca volvulus		0.0258	0.43	0.7393
Plasmodium vivax	vivapain-1	0.0139	0.1422	0.3306
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0258	0.43	0.8062
Onchocerca volvulus	Cathepsin L homolog	0.0258	0.43	0.7393
Brugia malayi	Cathepsin L-like precursor	0.0258	0.43	0.43
Leishmania major	cathepsin L-like protease	0.0258	0.43	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0258	0.43	0.3355
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0492	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0139	0.1422	0.1422
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0258	0.43	1
Echinococcus multilocularis	cathepsin b	0.0492	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Brugia malayi	Cathepsin L-like precursor	0.0258	0.43	0.43
Echinococcus granulosus	cathepsin b	0.0492	1	1
Brugia malayi	Cathepsin L-like precursor	0.0177	0.2337	0.2337
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0258	0.43	0.8062
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0258	0.43	0.8062
Loa Loa (eye worm)	fibroinase	0.0258	0.43	0.43
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0258	0.43	0.43
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0139	0.1422	0.1422
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0492	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	14.7157 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1341909

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 1253205