TDR Targets

Basic information

Technical information

TDR Targets ID: 826716
Name: 2-methyl-N-[2-[1-[3-(2-methylphenoxy)propyl]b enzimidazol-2-yl]ethyl]propanamide
MW: 379.495 | Formula: C23H29N3O2
H donors: 1 H acceptors: 2 LogP: 4.41 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(C)C)NCCc1nc2c(n1CCCOc1ccccc1C)cccc2
InChi: 1S/C23H29N3O2/c1-17(2)23(27)24-14-13-22-25-19-10-5-6-11-20(19)26(22)15-8-16-28-21-12-7-4-9-18(21)3/h4-7,9-12,17H,8,13-16H2,1-3H3,(H,24,27)
InChiKey: WTXNSWWFFBHMDZ-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-methyl-N-[2-[1-[3-(2-methylphenoxy)propyl]-2-benzimidazolyl]ethyl]propanamide
2-methyl-N-[2-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propionamide
ST5167530

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
Echinococcus multilocularis		0.0231	0.0432	0.0616
Brugia malayi	Cytochrome P450 family protein	0.0378	0.0765	0.2585
Brugia malayi	Immunoglobulin I-set domain containing protein	0.004	0.0001	0.0005
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0231	0.0432	0.5
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0049	0.0021	0.0028
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.135	0.296	0.4238
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.06	0.1267	0.5
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.021	0.0384	0.0383
Onchocerca volvulus		0.1004	0.2178	0.7357
Loa Loa (eye worm)	cytochrome P450 family protein	0.0912	0.1971	0.6661
Echinococcus multilocularis	Immunoglobulin	0.021	0.0384	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0012	0.0041
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.06	0.1267	0.1813
Loa Loa (eye worm)	cytochrome P450 family protein	0.0378	0.0765	0.2585
Brugia malayi	cytochrome P450	0.0231	0.0432	0.1458
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0231	0.0432	0.5
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.135	0.296	0.4238
Loa Loa (eye worm)	CYP4Cod1	0.0378	0.0765	0.2585
Loa Loa (eye worm)	hypothetical protein	0.021	0.0384	0.1298
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0126	0.0196	0.0279
Echinococcus granulosus	integrin alpha ps	0.0067	0.0061	0.0086
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0044	0.0011	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0165	0.0558
Brugia malayi	hypothetical protein	0.0338	0.0674	0.2277
Echinococcus multilocularis	roundabout 2	0.0049	0.0021	0.0028
Schistosoma mansoni	nephrin	0.0236	0.0445	0.0443
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0149	0.0248	0.0839
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0126	0.0196	0.0279
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0049	0.0021	0.0028
Schistosoma mansoni	neuroglian	0.0049	0.0021	0.0019
Schistosoma mansoni	tyrosine kinase	0.0066	0.006	0.0059
Schistosoma mansoni	integrin alpha-ps	0.0067	0.0061	0.006
Echinococcus multilocularis	roundabout 2	0.0259	0.0495	0.0706
Echinococcus granulosus	defective proboscis extension response	0.021	0.0384	0.0548
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0049	0.0021	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0244	0.0825
Trypanosoma cruzi	polo-like protein kinase, putative	0.135	0.296	1
Leishmania major	cytochrome p450-like protein	0.0378	0.0765	0.1319
Schistosoma mansoni	integrin alpha	0.0149	0.0247	0.0246
Brugia malayi	protein unc-22	0.004	0.0001	0.0005
Giardia lamblia	Kinase, PLK	0.135	0.296	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0231	0.0432	0.5
Trypanosoma cruzi	aurora B kinase, putative	0.06	0.1267	0.3304
Loa Loa (eye worm)	hypothetical protein	0.0213	0.0393	0.1327
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0231	0.0432	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0012	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0021	0.0071
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.313	0.6981	1
Loa Loa (eye worm)	hypothetical protein	0.0338	0.0674	0.2277
Brugia malayi	Prion-like-	0.0045	0.0012	0.0041
Brugia malayi	Immunoglobulin I-set domain containing protein	0.1257	0.2749	0.929
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0231	0.0432	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0049	0.0021	0.0071
Schistosoma mansoni	septate junction protein	0.0045	0.0012	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0013	0.0043
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0061	0.0086
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.0393	0.1327
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0045	0.0012	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0175	0.0591
Echinococcus granulosus	integrin alpha 3	0.0114	0.0169	0.0239
Trichomonas vaginalis	CAMK family protein kinase	0.135	0.296	1
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0231	0.0432	0.5
Loa Loa (eye worm)	hypothetical protein	0.0213	0.0393	0.1327
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0231	0.0432	0.5
Echinococcus granulosus	Immunoglobulin	0.021	0.0384	0.0548
Mycobacterium leprae	Conserved hypothetical protein	0.0231	0.0432	0.5
Echinococcus granulosus	hemicentin 1	0.0045	0.0012	0.0015
Echinococcus multilocularis	tyrosine protein kinase otk	0.0045	0.0012	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0096	0.0325
Brugia malayi	Cytochrome P450 family protein	0.0378	0.0765	0.2585
Echinococcus multilocularis	lachesin	0.0045	0.0012	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0231	0.0432	0.5
Schistosoma mansoni	tyrosine kinase	0.0126	0.0196	0.0195
Echinococcus multilocularis	peroxidasin	0.0045	0.0013	0.0016
Onchocerca volvulus	Tyrosine kinase homolog	0.1048	0.2278	0.7695
Onchocerca volvulus	Serine\/threonine kinase homolog	0.135	0.296	1
Loa Loa (eye worm)	CAMK protein kinase	0.004	0.0001	0.0005
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0045	0.0012	0.0041
Loa Loa (eye worm)	hypothetical protein	0.021	0.0385	0.13
Echinococcus granulosus	aurora kinase A	0.06	0.1267	0.1813
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.135	0.296	1
Mycobacterium leprae	putative cytochrome p450	0.0231	0.0432	0.5
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.1257	0.2749	0.929
Trichomonas vaginalis	CAMK family protein kinase	0.135	0.296	1
Brugia malayi	Integrin alpha pat-2 precursor	0.0149	0.0247	0.0835
Schistosoma mansoni	nephrin	0.0049	0.0021	0.0019
Echinococcus granulosus	twitchin	0.0246	0.0466	0.0666
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0045	0.0012	0.0041
Schistosoma mansoni	vesicular amine transporter	0.021	0.0384	0.0383
Trichomonas vaginalis	CAMK family protein kinase	0.135	0.296	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0012	0.0041
Brugia malayi	Peroxidasin	0.0045	0.0013	0.0043
Echinococcus multilocularis	neuroglian	0.0233	0.0436	0.0623
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0049	0.0021	0.0071
Echinococcus granulosus	roundabout 2	0.0259	0.0495	0.0706
Toxoplasma gondii	aurora kinase	0.06	0.1267	1
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0126	0.0196	0.0279
Echinococcus multilocularis	neuroglian	0.0049	0.0021	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0434	0.1466
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.135	0.296	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0045	0.0012	0.0041
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0231	0.0432	0.5
Schistosoma mansoni	cell adhesion molecule	0.0049	0.0021	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0012	0.0041
Loa Loa (eye worm)	TK/ROR protein kinase	0.0044	0.0011	0.0036
Loa Loa (eye worm)	AUR protein kinase	0.06	0.1267	0.4281
Trypanosoma brucei	polo-like protein kinase	0.135	0.296	1
Schistosoma mansoni	cell adhesion molecule	0.0049	0.0021	0.0019
Echinococcus multilocularis	hemicentin 1	0.0045	0.0012	0.0015
Trypanosoma brucei	cytochrome P450, putative	0.0378	0.0765	0.1319
Brugia malayi	hypothetical protein	0.0213	0.0393	0.1327
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.021	0.0384	0.0383
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0126	0.0196	0.0279
Brugia malayi	serine/threonine protein kinase 6	0.06	0.1267	0.4281
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0231	0.0432	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0231	0.0432	0.5
Echinococcus multilocularis	aurora kinase A	0.06	0.1267	0.1813
Schistosoma mansoni	hypothetical protein	0.0231	0.0432	0.043
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.06	0.1267	0.1813
Loa Loa (eye worm)	hypothetical protein	0.0255	0.0486	0.1642
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0231	0.0432	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0012	0.0041
Schistosoma mansoni	cell adhesion molecule	0.0236	0.0443	0.0441
Brugia malayi	serine/threonine-protein kinase plk-2	0.135	0.296	1
Loa Loa (eye worm)	integrin alpha pat-2	0.023	0.043	0.1451
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0231	0.0432	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.135	0.296	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.004	0.0001	0.0005
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0113	0.0165	0.0558
Trypanosoma cruzi	cytochrome P450, putative	0.0378	0.0765	0.1319
Plasmodium falciparum	serine/threonine protein kinase, putative	0.06	0.1267	0.5
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0044	0.0011	0.0013
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0231	0.0432	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0232	0.0434	0.062
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0012	0.0041
Schistosoma mansoni	cytochrome P450	0.0231	0.0432	0.043
Brugia malayi	serine/threonine-protein kinase 6	0.06	0.1267	0.4281
Echinococcus granulosus	tyrosine protein kinase otk	0.0045	0.0012	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0213	0.0393	0.1327
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0049	0.0021	0.0071
Loa Loa (eye worm)	cytochrome P450	0.0231	0.0432	0.1458
Echinococcus granulosus	lachesin	0.0045	0.0012	0.0015
Schistosoma mansoni	serine/threonine protein kinase	0.135	0.296	0.2958
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0061	0.0086
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.021	0.0384	0.0548
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0045	0.0012	0.0011
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0378	0.0765	1
Schistosoma mansoni	serine/threonine protein kinase	0.06	0.1267	0.1266
Trypanosoma cruzi	polo-like protein kinase, putative	0.135	0.296	1
Schistosoma mansoni	cell adhesion molecule	0.0045	0.0012	0.0011
Echinococcus multilocularis	hemicentin 1	0.0045	0.0012	0.0015
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0231	0.0432	0.5
Echinococcus granulosus	cytochrome P450 2K1	0.0231	0.0432	0.0616
Loa Loa (eye worm)	hypothetical protein	0.021	0.0384	0.1298
Schistosoma mansoni	roundabout	0.0045	0.0012	0.0011
Trypanosoma brucei	aurora B kinase	0.06	0.1267	0.3304
Echinococcus multilocularis	roundabout 2	0.0049	0.0021	0.0028
Loa Loa (eye worm)	TK protein kinase	0.0149	0.0248	0.0839
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0045	0.0012	0.0015
Schistosoma mansoni	titin	0.0045	0.0012	0.0011
Loa Loa (eye worm)	cytochrome P450 family protein	0.0378	0.0765	0.2585
Echinococcus multilocularis	Immunoglobulin	0.021	0.0384	0.0548
Schistosoma mansoni	septate junction protein	0.0045	0.0012	0.0011
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0231	0.0432	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.135	0.296	1
Trichomonas vaginalis	CAMK family protein kinase	0.135	0.296	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0049	0.0021	0.0019
Trypanosoma cruzi	cytochrome P450, putative	0.0378	0.0765	0.1319
Entamoeba histolytica	serine/threonine protein kinase, putative	0.135	0.296	1
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0045	0.0012	0.0036
Echinococcus granulosus	peroxidasin	0.0045	0.0013	0.0016
Echinococcus granulosus	roundabout 2	0.0049	0.0021	0.0028
Echinococcus granulosus	contactin	0.0049	0.0021	0.0028
Loa Loa (eye worm)	AUR protein kinase	0.06	0.1267	0.4281
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0231	0.0432	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0045	0.0012	0.0041
Echinococcus granulosus	neuroglian	0.0233	0.0436	0.0623
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0231	0.0432	0.5
Loa Loa (eye worm)	hypothetical protein	0.0255	0.0486	0.1642
Trichomonas vaginalis	CAMK family protein kinase	0.135	0.296	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0045	0.0012	0.0041
Brugia malayi	Cytochrome P450 family protein	0.0912	0.1971	0.6661
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0045	0.0012	0.0041
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0062	0.0051	0.0173
Echinococcus granulosus	roundabout 2	0.0049	0.0021	0.0028
Echinococcus multilocularis	integrin alpha 3	0.0114	0.0169	0.0239
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0231	0.0432	0.5
Schistosoma mansoni	protein kinase	0.06	0.1267	0.1266
Echinococcus granulosus	neuroglian	0.0049	0.0021	0.0028
Brugia malayi	Fibronectin type III domain containing protein	0.0213	0.0393	0.1327
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0049	0.0021	0.0071
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0231	0.0432	0.5
Loa Loa (eye worm)	AUR protein kinase	0.06	0.1267	0.4281
Brugia malayi	serine/threonine kinase 12	0.06	0.1267	0.4281
Brugia malayi	Cytochrome P450 family protein	0.0231	0.0432	0.1458
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0049	0.0021	0.0028
Leishmania major	protein kinase, putative	0.06	0.1267	0.3304
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0045	0.0012	0.0041
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.313	0.6981	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0049	0.0021	0.0028

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 826716