TDR Targets

Basic information

Technical information

TDR Targets ID: 826717
Name: 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl) benzimidazole
MW: 308.417 | Formula: C20H24N2O
H donors: 0 H acceptors: 1 LogP: 4.99 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)Cc1nc2c(n1CC(CC)C)cccc2
InChi: 1S/C20H24N2O/c1-4-15(2)14-22-19-8-6-5-7-18(19)21-20(22)13-16-9-11-17(23-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3
InChiKey: VRXLHCZYSHBJBV-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

2-(4-methoxybenzyl)-1-(2-methylbutyl)benzimidazole
ChemDiv3_015695

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
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0283	0.0467	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.1093	0.2783	0.403
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0419	0.0855	0.1239
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0181	0.0176	0.0108
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0335	0.0616	0.0892
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0175	0.0158	0.5
Schistosoma mansoni	protein kinase	0.0419	0.0855	0.0722
Leishmania major	protein kinase, putative	0.0419	0.0855	0.2657
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0175	0.0158	0.5
Echinococcus granulosus	nmda type glutamate receptor	0.0214	0.027	0.0391
Loa Loa (eye worm)	cytochrome P450	0.0175	0.0158	0.0049
Trypanosoma cruzi	polo-like protein kinase, putative	0.1093	0.2783	1
Echinococcus granulosus	roundabout 2	0.0221	0.0289	0.0419
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0135	0.0045	0.0065
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.1093	0.2783	0.403
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0175	0.0158	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0175	0.0158	0.5
Loa Loa (eye worm)	AUR protein kinase	0.0419	0.0855	0.2356
Brugia malayi	Cytochrome P450 family protein	0.0645	0.1502	0.4494
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0175	0.0158	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0283	0.0467	0.1069
Schistosoma mansoni	glutamate receptor NMDA	0.0275	0.0445	0.0306
Trypanosoma brucei	cytochrome P450, putative	0.0283	0.0467	0.1175
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0289	0.0482
Echinococcus granulosus	defective proboscis extension response	0.0181	0.0176	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0176	0.0108
Echinococcus multilocularis		0.0175	0.0158	0.0229
Schistosoma mansoni	serine/threonine protein kinase	0.1093	0.2783	0.2678
Trichomonas vaginalis	CAMK family protein kinase	0.1093	0.2783	1
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0744	0.1786	0.5433
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0196	0.022	0.0319
Echinococcus multilocularis	glutamate receptor 2	0.0196	0.022	0.0319
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0419	0.0855	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0283	0.0467	0.1175
Brugia malayi	serine/threonine protein kinase 6	0.0419	0.0855	0.2356
Entamoeba histolytica	serine/threonine protein kinase, putative	0.1093	0.2783	1
Trypanosoma cruzi	aurora B kinase, putative	0.0419	0.0855	0.2657
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0175	0.0158	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0175	0.0158	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.1227	0.3166	1
Trichomonas vaginalis	CAMK family protein kinase	0.1093	0.2783	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.1093	0.2783	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0181	0.0176	0.0255
Trichomonas vaginalis	CAMK family protein kinase	0.1093	0.2783	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.1093	0.2783	0.8732
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0175	0.0158	0.5
Trypanosoma brucei	aurora B kinase	0.0419	0.0855	0.2657
Schistosoma mansoni	cytochrome P450	0.0175	0.0158	0.0015
Trichomonas vaginalis	CAMK family protein kinase	0.1093	0.2783	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0175	0.0158	0.5
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0196	0.022	0.0319
Trypanosoma brucei	polo-like protein kinase	0.1093	0.2783	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.1227	0.3166	1
Leishmania major	C-8 sterol isomerase-like protein	0.0744	0.1786	0.62
Echinococcus granulosus	glutamate receptor 2	0.0196	0.022	0.0319
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0175	0.0158	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.1093	0.2783	1
Echinococcus granulosus	aurora kinase A	0.0419	0.0855	0.1239
Brugia malayi	serine/threonine kinase 12	0.0419	0.0855	0.2356
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0744	0.1786	0.62
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0203	0.024	0.0347
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0196	0.022	0.0319
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0196	0.022	0.0319
Trypanosoma cruzi	cytochrome P450, putative	0.0283	0.0467	0.1175
Brugia malayi	cytochrome P450	0.0175	0.0158	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0289	0.0482
Loa Loa (eye worm)	cytochrome P450 family protein	0.0645	0.1502	0.4494
Brugia malayi	Fibronectin type III domain containing protein	0.0181	0.0176	0.0108
Giardia lamblia	Kinase, PLK	0.1093	0.2783	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0175	0.0158	0.5
Leishmania major	cytochrome p450-like protein	0.0283	0.0467	0.1175
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0196	0.022	0.0319
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.2535	0.6906	1
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0175	0.0158	0.5
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0744	0.1786	0.62
Onchocerca volvulus	Tyrosine kinase homolog	0.1041	0.2634	0.3946
Mycobacterium leprae	Conserved hypothetical protein	0.0175	0.0158	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0283	0.0467	0.1069
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0419	0.0855	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.1093	0.2783	1
Schistosoma mansoni	vesicular amine transporter	0.0181	0.0176	0.0033
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0175	0.0158	0.5
Echinococcus multilocularis	roundabout 2	0.0221	0.0289	0.0419
Schistosoma mansoni	hypothetical protein	0.0175	0.0158	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0176	0.0108
Echinococcus multilocularis	Immunoglobulin	0.0181	0.0176	0.0255
Loa Loa (eye worm)	cytochrome P450 family protein	0.0283	0.0467	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0203	0.024	0.0318
Schistosoma mansoni	serine/threonine protein kinase	0.0419	0.0855	0.0722
Mycobacterium leprae	putative cytochrome p450	0.0175	0.0158	0.5
Brugia malayi	serine/threonine-protein kinase 6	0.0419	0.0855	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0744	0.1786	0.5433
Trypanosoma cruzi	polo-like protein kinase, putative	0.1093	0.2783	1
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0175	0.0158	0.5
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.1093	0.2783	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0176	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0176	0.0108
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0196	0.022	0.0319
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0181	0.0176	0.0033
Echinococcus granulosus	cytochrome P450 2K1	0.0175	0.0158	0.0229
Echinococcus multilocularis	Immunoglobulin	0.0181	0.0176	0.0255
Echinococcus multilocularis	aurora kinase A	0.0419	0.0855	0.1239
Schistosoma mansoni	glutamate receptor NMDA	0.0335	0.0616	0.048
Echinococcus granulosus	neuroglian	0.0198	0.0226	0.0327
Trichomonas vaginalis	CAMK family protein kinase	0.1093	0.2783	1
Echinococcus granulosus	twitchin	0.0209	0.0255	0.037
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0196	0.022	0.0319
Schistosoma mansoni	nephrin	0.0198	0.0226	0.0084
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0175	0.0158	0.5
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0335	0.0616	0.0892
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0175	0.0158	0.5
Brugia malayi	Cytochrome P450 family protein	0.0175	0.0158	0.0049
Brugia malayi	hypothetical protein	0.0181	0.0176	0.0108
Brugia malayi	Cytochrome P450 family protein	0.0283	0.0467	0.1069
Echinococcus multilocularis	nmda type glutamate receptor	0.0214	0.027	0.0391
Echinococcus multilocularis	neuroglian	0.0198	0.0226	0.0327
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0175	0.0158	0.5
Toxoplasma gondii	aurora kinase	0.0419	0.0855	1
Brugia malayi	Cytochrome P450 family protein	0.0283	0.0467	0.1069
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0175	0.0158	0.5
Echinococcus granulosus	Immunoglobulin	0.0181	0.0176	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0176	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0176	0.0108
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.2535	0.6906	1
Loa Loa (eye worm)	AUR protein kinase	0.0419	0.0855	0.2356
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0196	0.022	0.0319
Brugia malayi	serine/threonine-protein kinase plk-2	0.1093	0.2783	0.8732
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0419	0.0855	0.1239
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0175	0.0158	0.5
Schistosoma mansoni	cell adhesion molecule	0.0203	0.024	0.0097
Loa Loa (eye worm)	AUR protein kinase	0.0419	0.0855	0.2356
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0181	0.0176	0.0033
Echinococcus multilocularis	glutamate receptor 2	0.017	0.0144	0.0208
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0175	0.0158	0.5
Loa Loa (eye worm)	hypothetical protein	0.038	0.0746	0.1993

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 826717