TDR Targets

Basic information

Technical information

TDR Targets ID: 896005
Name: 5-amino-1-(2-diethylaminoethyl)-4-(6-methyl-1 H-benzimidazol-2-yl)-2H-pyrrol-3-one
MW: 327.424 | Formula: C18H25N5O
H donors: 2 H acceptors: 2 LogP: 1.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCN1CC(=O)C(=C1N)c1nc2c([nH]1)ccc(c2)C)CC
InChi: 1S/C18H25N5O/c1-4-22(5-2)8-9-23-11-15(24)16(17(23)19)18-20-13-7-6-12(3)10-14(13)21-18/h6-7,10H,4-5,8-9,11,19H2,1-3H3,(H,20,21)
InChiKey: QMNIRBNXWRYOFH-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

5-amino-1-(2-diethylaminoethyl)-4-(6-methyl-1H-benzimidazol-2-yl)-2-pyrrolin-3-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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)	hypothetical protein	0.003	0.2483	0.2483
Echinococcus multilocularis	nAChR subunit	0.003	0.2483	0.2483
Echinococcus granulosus	thioredoxin glutathione reductase	0.0062	0.8131	0.8131
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0021	0.0922	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.2483	0.2483
Loa Loa (eye worm)	ACC-1 protein	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.2483	0.2483
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.2483	0.2483
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0021	0.0922	0.0922
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0021	0.0922	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.003	0.2483	0.2483
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.003	0.2483	0.2483
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.003	0.2483	0.2483
Plasmodium falciparum	thioredoxin reductase	0.0062	0.8131	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Onchocerca volvulus		0.003	0.2483	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	acetylcholinesterase 1	0.0072	1	1
Brugia malayi	Cation transporter family protein	0.003	0.2483	0.2483
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0021	0.0922	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Echinococcus multilocularis	glycine receptor subunit beta	0.003	0.2483	0.2483
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0072	1	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.003	0.2483	0.2483
Onchocerca volvulus		0.003	0.2483	1
Loa Loa (eye worm)	carboxylesterase	0.0072	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0062	0.8131	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0021	0.0922	0.0922
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.003	0.2483	0.2483
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.003	0.2483	0.2483
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.003	0.2483	0.2483
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0021	0.0922	0.0922
Echinococcus granulosus	carboxylesterase 5A	0.0072	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.003	0.2483	0.2483
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.003	0.2483	0.2483
Leishmania major	trypanothione reductase	0.0062	0.8131	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.003	0.2483	0.2483
Trypanosoma brucei	trypanothione reductase	0.0062	0.8131	1
Onchocerca volvulus		0.003	0.2483	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.2483	0.2483
Entamoeba histolytica	hypothetical protein	0.0016	0	0.5
Schistosoma mansoni	nAChR subunit	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.003	0.2483	0.2483
Loa Loa (eye worm)	glutathione reductase	0.0062	0.8131	0.8131
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.003	0.2483	0.2483
Brugia malayi	Thioredoxin reductase	0.0062	0.8131	0.8131
Echinococcus granulosus	glycine receptor subunit beta	0.003	0.2483	0.2483
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0021	0.0922	0.0922
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.003	0.2483	0.2483
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.2483	0.2483
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.2483	0.2483
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Loa Loa (eye worm)	ACC-1 protein	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.0072	1	1
Schistosoma mansoni	nAChR subunit	0.003	0.2483	0.2483
Treponema pallidum	NADH oxidase	0.0021	0.0922	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.2483	0.2483
Loa Loa (eye worm)	LGC-31 protein	0.003	0.2483	0.2483
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.003	0.2483	0.2483
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.003	0.2483	0.2483
Echinococcus multilocularis	acetylcholinesterase	0.0072	1	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.003	0.2483	0.2483
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.2483	0.2483
Echinococcus granulosus	glycine receptor subunit beta	0.003	0.2483	0.2483
Brugia malayi	glutathione reductase	0.0062	0.8131	0.8131
Echinococcus multilocularis	glycine receptor subunit beta	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.003	0.2483	0.2483
Trichomonas vaginalis	mercuric reductase, putative	0.0021	0.0922	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.003	0.2483	0.2483
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.003	0.2483	0.2483
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Toxoplasma gondii	thioredoxin reductase	0.0062	0.8131	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	hypothetical protein	0.0072	1	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0021	0.0922	0.5
Onchocerca volvulus		0.003	0.2483	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.2483	0.2483
Plasmodium vivax	glutathione reductase, putative	0.0062	0.8131	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.2483	0.2483
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.2483	0.2483
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.003	0.2483	0.2483
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit	0.003	0.2483	0.2483
Plasmodium vivax	thioredoxin reductase, putative	0.0062	0.8131	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.003	0.2483	0.2483
Echinococcus multilocularis	carboxylesterase 5A	0.0072	1	1
Brugia malayi	Cation transporter family protein	0.003	0.2483	0.2483
Echinococcus granulosus	nAChR subunit	0.003	0.2483	0.2483
Brugia malayi	Cation transporter family protein	0.003	0.2483	0.2483
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0021	0.0922	0.5
Plasmodium falciparum	glutathione reductase	0.0062	0.8131	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.2483	0.2483
Onchocerca volvulus		0.003	0.2483	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0062	0.8131	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.2483	0.2483
Brugia malayi	Carboxylesterase family protein	0.0072	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0021	0.0922	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.003	0.2483	0.2483
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.2483	0.2483
Echinococcus granulosus	acetylcholinesterase	0.0072	1	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0062	0.8131	0.8131
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.003	0.2483	0.2483
Loa Loa (eye worm)	thioredoxin reductase	0.0062	0.8131	0.8131
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0021	0.0922	0.5
Onchocerca volvulus		0.003	0.2483	1
Echinococcus multilocularis	acetylcholinesterase	0.0072	1	1
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit	0.003	0.2483	0.2483
Schistosoma mansoni	nAChR subunit	0.003	0.2483	0.2483
Echinococcus granulosus	acetylcholinesterase	0.0072	1	1
Onchocerca volvulus	Putative nachr subunit	0.003	0.2483	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.2483	0.2483
Trichomonas vaginalis	glutathione reductase, putative	0.0021	0.0922	0.5
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0021	0.0922	0.5

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 896005