TDR Targets

Basic information

Technical information

TDR Targets ID: 291055
Name: N-(6-chloro-2-methyl-1H-benzimidazol-4-yl)ace tamide
MW: 223.659 | Formula: C10H10ClN3O
H donors: 2 H acceptors: 2 LogP: 1.69 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1cc(Cl)cc2c1nc([nH]2)C
InChi: 1S/C10H10ClN3O/c1-5-12-8-3-7(11)4-9(10(8)13-5)14-6(2)15/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChiKey: GZONQVYVJJXHMO-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-(6-chloro-2-methyl-1H-benzimidazol-4-yl)ethanamide
AIDS-157367
AIDS157367
N-(6-Chloro-2-methyl-1H-benzimidazol-4-yl)acetamide hydrochloride
NSC638675 (HYDROCHLORIDE SALT)

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
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Treponema pallidum	NADH oxidase	0.0021	0	0.5
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0047	0.0047
Schistosoma mansoni	ran	0.0024	0.0023	0.0073
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0021	0	0.5
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0047	0.0047
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0047	0.118
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0123	0.1008	0.1008
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0062	0.04	0.1249
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0343	0.3203	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0307	0.284	0.284
Echinococcus multilocularis	snurportin 1	0.0343	0.3203	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Brugia malayi	Importin beta-1 subunit	0.0032	0.0108	0.1544
Schistosoma mansoni	hypothetical protein	0.0343	0.3203	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0021	0	0.5
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Loa Loa (eye worm)	glutathione reductase	0.0062	0.04	0.1185
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0023	0.0582
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0021	0	0.5
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0047	0.118
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0108	0.2693
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0021	0	0.5
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0108	0.2693
Plasmodium vivax	glutathione reductase, putative	0.0062	0.04	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0023	0.0582
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0062	0.04	1
Giardia lamblia	NADPH oxidoreductase, putative	0.0307	0.284	1
Schistosoma mansoni	ran	0.0024	0.0023	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Trypanosoma cruzi	trypanothione reductase, putative	0.0062	0.04	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0108	0.0336
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0023	0.0582
Plasmodium falciparum	glutathione reductase	0.0062	0.04	1
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0047	0.0047
Giardia lamblia	NADPH oxidoreductase, putative	0.0307	0.284	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Toxoplasma gondii	thioredoxin reductase	0.0062	0.04	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trichomonas vaginalis	conserved hypothetical protein	0.0184	0.162	0.162
Echinococcus granulosus	snurportin 1	0.0343	0.3203	1
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0023	0.0582
Loa Loa (eye worm)	thioredoxin reductase	0.0062	0.04	0.1185
Trichomonas vaginalis	ran, putative	0.0024	0.0023	0.0023
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Echinococcus granulosus	thioredoxin glutathione reductase	0.0062	0.04	0.1249
Giardia lamblia	NADPH oxidoreductase, putative	0.0307	0.284	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0023	0.0073
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0108	0.2693
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0021	0	0.5
Brugia malayi	glutathione reductase	0.0062	0.04	0.5736
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0307	0.284	0.284
Leishmania major	GTP-binding protein, putative	0.0024	0.0023	0.0582
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Entamoeba histolytica	hypothetical protein	0.0026	0.0047	0.0243
Brugia malayi	RNA, U transporter 1	0.0091	0.0697	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0023	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0023	0.0582
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0021	0	0.5
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0123	0.1008	1
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0108	0.0336
Trypanosoma brucei	trypanothione reductase	0.0062	0.04	1
Schistosoma mansoni	importin beta-1	0.0032	0.0108	0.0336
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Plasmodium falciparum	thioredoxin reductase	0.0062	0.04	1
Plasmodium falciparum	importin beta, putative	0.0032	0.0108	0.2693
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0307	0.284	0.284
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0023	0.0082
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0108	0.2693
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.0266
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Entamoeba histolytica	hypothetical protein	0.0123	0.1008	1
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0123	0.1008	1
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0023	0.0334
Leishmania major	trypanothione reductase	0.0062	0.04	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.1027	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.1008	0.1008
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0023	0.0582
Plasmodium vivax	thioredoxin reductase, putative	0.0062	0.04	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008
Brugia malayi	Thioredoxin reductase	0.0062	0.04	0.5736
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0021	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.284	0.284
Trichomonas vaginalis	modulator of drug activity B, putative	0.0123	0.1008	0.1008

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 3.51	Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.	ChEMBL.	7120277
logP (ADMET)	= 1.27	Partition coefficient (logP)	ChEMBL.	7120277
pI50 (ADMET)	= 3.51	Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.	ChEMBL.	7120277

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: CHEMBL171730
PubChem: 368225

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 291055