TDR Targets

Basic information

Technical information

TDR Targets ID: 826648
Name: 2-(3-methylphenyl)-1-prop-2-ynylbenzimidazole
MW: 246.306 | Formula: C17H14N2
H donors: 0 H acceptors: 1 LogP: 3.68 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: C#CCn1c(nc2c1cccc2)c1cccc(c1)C
InChi: 1S/C17H14N2/c1-3-11-19-16-10-5-4-9-15(16)18-17(19)14-8-6-7-13(2)12-14/h1,4-10,12H,11H2,2H3
InChiKey: WEGUYYIDUIBAJA-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-(3-methylphenyl)-1-prop-2-ynyl-benzimidazole
2-(3-methylphenyl)-1-propargyl-benzimidazole
ZINC04426958
ST5112430

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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0751	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0381	0.4195	1
Loa Loa (eye worm)	cathepsin B	0.0292	0.2796	0.2741
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Entamoeba histolytica	cysteine proteinase, putative	0.0381	0.4195	1
Trypanosoma cruzi	prolyl endopeptidase	0.0128	0.0211	0.0135
Echinococcus multilocularis	cathepsin L cysteine protease	0.0381	0.4195	0.407
Brugia malayi	Cathepsin L-like precursor	0.0381	0.4195	0.4151
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Onchocerca volvulus		0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Brugia malayi	Papain family cysteine protease containing protein	0.0206	0.1446	0.138
Onchocerca volvulus		0.0381	0.4195	1
Giardia lamblia	Cathepsin B precursor	0.0292	0.2796	0.5
Trypanosoma cruzi	cysteine protease, putative	0.0206	0.1446	0.138
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0292	0.2796	0.2741
Trypanosoma cruzi	cysteine peptidase, putative	0.0381	0.4195	0.4151
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0751	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0381	0.4195	0.4151
Echinococcus multilocularis	cathepsin b	0.0751	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0381	0.4195	1
Plasmodium vivax	unspecified product	0.0206	0.1446	0.3324
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0751	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0751	1	1
Echinococcus granulosus	cysteine protease	0.0206	0.1446	0.1261
Loa Loa (eye worm)	cysteine protease	0.0381	0.4195	0.4151
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0211	0.0135
Loa Loa (eye worm)	ctsf protein	0.0381	0.4195	0.4151
Brugia malayi	Papain family cysteine protease containing protein	0.0206	0.1446	0.138
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Loa Loa (eye worm)	hypothetical protein	0.0262	0.232	0.2261
Brugia malayi	Cathepsin L-like precursor	0.0381	0.4195	0.4151
Plasmodium vivax	vivapain-2	0.0381	0.4195	1
Brugia malayi	Cathepsin L-like precursor	0.0381	0.4195	0.4151
Trypanosoma cruzi	cruzipain precursor, putative	0.0381	0.4195	0.4151
Onchocerca volvulus	Cathepsin F homolog	0.0381	0.4195	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0381	0.4195	0.4151
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0751	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.1446	0.138
Brugia malayi	prolyl oligopeptidase family protein	0.0128	0.0211	0.0135
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0381	0.4195	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0128	0.0211	0.0135
Schistosoma mansoni	cathepsin F (C01 family)	0.0381	0.4195	0.4151
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Echinococcus granulosus	cathepsin L	0.0206	0.1446	0.1261
Loa Loa (eye worm)	fibroinase	0.0381	0.4195	0.4151
Onchocerca volvulus		0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0292	0.2796	0.4912
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0262	0.232	0.2261
Echinococcus granulosus	cathepsin l1	0.0381	0.4195	0.407
Onchocerca volvulus		0.0262	0.232	0.5295
Loa Loa (eye worm)	hypothetical protein	0.0262	0.232	0.2261
Brugia malayi	Cathepsin L-like precursor	0.0381	0.4195	0.4151
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0206	0.1446	0.138
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0206	0.1446	0.138
Toxoplasma gondii	cathepsin B	0.0292	0.2796	0.6489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Plasmodium vivax	vivapain-3	0.0206	0.1446	0.3324
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Giardia lamblia	Cathepsin B precursor	0.0292	0.2796	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0381	0.4195	0.4151
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0262	0.232	0.2261
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0114	0	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0381	0.4195	0.407
Echinococcus multilocularis	cysteine protease	0.0381	0.4195	0.407
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0381	0.4195	0.407
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Giardia lamblia	Cathepsin B precursor	0.0292	0.2796	0.5
Brugia malayi	Cathepsin L-like precursor	0.0262	0.232	0.2261
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Plasmodium vivax	vivapain-1	0.0206	0.1446	0.3324
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0206	0.1446	0.138
Loa Loa (eye worm)	hypothetical protein	0.0381	0.4195	0.4151
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0262	0.232	0.2261
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0381	0.4195	1
Onchocerca volvulus	Cathepsin L homolog	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0292	0.2796	0.6489
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0128	0.0211	0.0135
Trypanosoma cruzi	cysteine proteinase, putative	0.0206	0.1446	0.138
Onchocerca volvulus		0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Onchocerca volvulus		0.0381	0.4195	1
Echinococcus multilocularis	cysteine protease	0.0381	0.4195	0.407
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0206	0.1446	0.138
Loa Loa (eye worm)	hypothetical protein	0.0262	0.232	0.2261
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1446	0.3099
Echinococcus granulosus	cathepsin b	0.0751	1	1
Echinococcus granulosus	cathepsin b	0.0751	1	1
Echinococcus multilocularis	cathepsin L	0.0206	0.1446	0.1261
Schistosoma mansoni	cathepsin F (C01 family)	0.0381	0.4195	0.4151
Loa Loa (eye worm)	hypothetical protein	0.0751	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0381	0.4195	0.4151
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1446	0.3099
Echinococcus multilocularis	cathepsin b	0.0751	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0381	0.4195	0.4151
Brugia malayi	Cathepsin L-like precursor	0.0262	0.232	0.2261
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0381	0.4195	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0206	0.1446	0.1261
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.232	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0292	0.2796	0.6489
Onchocerca volvulus		0.0381	0.4195	1
Entamoeba histolytica	cysteine proteinase, putative	0.0381	0.4195	1
Brugia malayi	Cathepsin L-like precursor	0.0381	0.4195	0.4151
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0292	0.2796	0.2741
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Plasmodium vivax	vivapain-2	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0381	0.4195	1
Entamoeba histolytica	cysteine proteinase, putative	0.0262	0.232	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0381	0.4195	0.407
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0381	0.4195	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0381	0.4195	0.407
Onchocerca volvulus	Cathepsin L homolog	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Onchocerca volvulus		0.0381	0.4195	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0206	0.1446	0.138
Leishmania major	cathepsin L-like protease	0.0381	0.4195	1
Toxoplasma gondii	cathepsin CPL	0.0381	0.4195	1
Brugia malayi	cathepsin L-like precursor	0.0262	0.232	0.2261
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.232	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0381	0.4195	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0381	0.4195	1
Brugia malayi	Cathepsin L-like precursor	0.0381	0.4195	0.4151
Echinococcus granulosus	cathepsin l1	0.0262	0.232	0.2155
Trypanosoma cruzi	cysteine peptidase, putative	0.0381	0.4195	0.4151
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0381	0.4195	0.407
Entamoeba histolytica	cysteine protease, putative	0.0381	0.4195	1

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 826648