TDR Targets

Basic information

Technical information

TDR Targets ID: 27360
Name: 2-ethyl-6-methoxy-1-propoxybenzimidazole
MW: 234.294 | Formula: C13H18N2O2
H donors: 0 H acceptors: 1 LogP: 3.54 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCOn1c(CC)nc2c1cc(OC)cc2
InChi: 1S/C13H18N2O2/c1-4-8-17-15-12-9-10(16-3)6-7-11(12)14-13(15)5-2/h6-7,9H,4-5,8H2,1-3H3
InChiKey: HBGVIDLVQQWTSR-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-ethyl-6-methoxy-1-propoxy-benzimidazole
AIDS-051661
AIDS051661

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	Basic leucine zipper (bZIP) transcription	0.004	0.0027	0.0023
Echinococcus granulosus	carbonic anhydrase	0.1147	0.3636	0.3636
Loa Loa (eye worm)	hypothetical protein	0.004	0.0027	0.0023
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0262	0.075	0.2132
Onchocerca volvulus	Putative sulfate transporter	0.0227	0.0635	0.8424
Entamoeba histolytica	bacterial transferase hexapeptide family protein	0.0045	0.0042	0.0029
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0027	0.0023
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1606	0.5135	1
Brugia malayi	follicle stimulating hormone receptor	0.0257	0.0734	0.073
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.3098	1	1
Loa Loa (eye worm)	hypothetical protein	0.1147	0.3636	0.3634
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0027	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0027	0.0027
Brugia malayi	Pre-SET motif family protein	0.0231	0.0649	0.0645
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.3098	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.1147	0.3636	0.3634
Toxoplasma gondii	ABC1 family protein	0.004	0.0027	0.0064
Entamoeba histolytica	carbonic anhydrase, putative	0.1606	0.5135	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0027	0.0023
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0027	0.0027
Leishmania major	carbonic anhydrase family protein, putative	0.1606	0.5135	0.5122
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0027	0.0023
Trypanosoma cruzi	hypothetical protein, conserved	0.0045	0.0042	0.0028
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1147	0.3636	0.3634
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0257	0.0734	0.073
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0027	0.0023
Schistosoma mansoni	hypothetical protein	0.0189	0.0513	0.0509
Trichomonas vaginalis	maltose O-acetyltransferase, putative	0.0075	0.0141	0.0212
Onchocerca volvulus		0.004	0.0027	0.0308
Echinococcus granulosus	carbonic anhydrase	0.1147	0.3636	0.3636
Toxoplasma gondii	hypothetical protein	0.1147	0.3636	1
Schistosoma mansoni	carbonic anhydrase-related	0.1147	0.3636	0.3634
Mycobacterium ulcerans	hypothetical protein	0.004	0.0027	0.0025
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.3098	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0027	0.0013
Mycobacterium ulcerans	hypothetical protein	0.0045	0.0042	0.0053
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0863	0.2712	0.7921
Brugia malayi	beta-lactamase	0.004	0.0027	0.0023
Onchocerca volvulus		0.0263	0.0753	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.3098	1	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1147	0.3636	0.3634
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0027	0.0025
Mycobacterium tuberculosis	Probable serine acetyltransferase CysE (sat)	0.0078	0.015	0.0364
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1147	0.3636	0.3634
Brugia malayi	hypothetical protein	0.004	0.0027	0.0023
Loa Loa (eye worm)	hypothetical protein	0.004	0.0027	0.0023
Trichomonas vaginalis	conserved hypothetical protein	0.1681	0.5378	1
Trypanosoma brucei	carbonic anhydrase-like protein	0.3098	1	1
Chlamydia trachomatis	sulfate transporter	0.0036	0.0014	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0257	0.0734	0.2085
Loa Loa (eye worm)	beta-lactamase	0.004	0.0027	0.0023
Schistosoma mansoni	carbonic anhydrase	0.1606	0.5135	0.5133
Schistosoma mansoni	carbonic anhydrase	0.1147	0.3636	0.3634
Echinococcus granulosus	carbonic anhydrase II	0.3098	1	1
Leishmania major	carbonic anhydrase-like protein	0.3098	1	1
Onchocerca volvulus		0.0227	0.0635	0.8424
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.3098	1	1
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.0078	0.015	1
Leishmania major	hypothetical protein, conserved	0.0045	0.0042	0.0015
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.004	0.0027	0.0023
Loa Loa (eye worm)	hypothetical protein	0.2459	0.7917	0.7916
Brugia malayi	beta-lactamase family protein	0.004	0.0027	0.0023
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0027	0.0013
Entamoeba histolytica	ankyrin, putative	0.0078	0.015	0.0242
Schistosoma mansoni	hypothetical protein	0.1147	0.3636	0.3634
Loa Loa (eye worm)	hypothetical protein	0.004	0.0027	0.0023
Onchocerca volvulus		0.0075	0.0141	0.1825
Mycobacterium tuberculosis	Possible siderophore-binding protein	0.0045	0.0042	0.0044
Echinococcus multilocularis	carbonic anhydrase	0.1147	0.3636	0.3634
Schistosoma mansoni	carbonic anhydrase-related	0.1147	0.3636	0.3634
Trichomonas vaginalis	conserved hypothetical protein	0.1681	0.5378	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0027	0.0023
Brugia malayi	beta-lactamase family protein	0.004	0.0027	0.0023
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.1005	0.3173	0.9284
Trypanosoma cruzi	hypothetical protein, conserved	0.0045	0.0042	0.0028
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0027	0.0023
Trypanosoma brucei	hypothetical protein, conserved	0.0045	0.0042	0.0028
Schistosoma mansoni	hypothetical protein	0.0189	0.0513	0.0509
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0027	0.0023
Echinococcus granulosus	carbonic anhydrase	0.1147	0.3636	0.3636
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0004	0.0004
Mycobacterium ulcerans	beta-lactamase	0.004	0.0027	0.0025
Echinococcus multilocularis	geminin	0.0189	0.0513	0.0509
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0027	0.0013
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.3098	1	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1147	0.3636	0.3634
Mycobacterium ulcerans	lipase LipD	0.004	0.0027	0.0025
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0231	0.0649	0.0645
Trichomonas vaginalis	conserved hypothetical protein	0.0075	0.0141	0.0212
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1147	0.3636	0.3634
Onchocerca volvulus		0.004	0.0027	0.0308
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1147	0.3636	0.3634
Loa Loa (eye worm)	hypothetical protein	0.1147	0.3636	0.3634
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1079	0.3416	1
Echinococcus multilocularis	carbonic anhydrase	0.1147	0.3636	0.3634
Plasmodium vivax	sulfate transporter, putative	0.0036	0.0014	0.4206
Wolbachia endosymbiont of Brugia malayi	2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase	0.0078	0.015	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0027	0.0023
Mycobacterium leprae	Probable transmembrane transport protein	0.0262	0.075	0.1414
Mycobacterium leprae	PROBABLE TRANSFERASE	0.0075	0.0141	0.0223
Echinococcus multilocularis	carbonic anhydrase	0.1147	0.3636	0.3634
Echinococcus multilocularis	carbonic anhydrase II	0.3098	1	1
Mycobacterium ulcerans	carbonic anhydrase	0.1606	0.5135	0.9547
Trichomonas vaginalis	set domain proteins, putative	0.0263	0.0753	0.1357
Mycobacterium ulcerans	transferase	0.0075	0.0141	0.0237
Mycobacterium ulcerans	carbonic anhydrase	0.1681	0.5378	1
Echinococcus granulosus	dynactin 5 p25	0.0078	0.015	0.015
Entamoeba histolytica	acetyltransferase, putative	0.0078	0.015	0.0242
Schistosoma mansoni	hypothetical protein	0.004	0.0027	0.0023
Plasmodium falciparum	carbonic anhydrase	0.1147	0.3636	1
Echinococcus granulosus	geminin	0.0189	0.0513	0.0513
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0036	0.0014	0.0027
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.3098	1	1
Onchocerca volvulus		0.004	0.0027	0.0308

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.6 uM	Tested against HIV-1 111B for Inhibition of viral replication by determining reduction of syncytia formation and antigen gp120 in C8166 cells, estimated by ELISA; value ranges from 0.6-6 microM	ChEMBL.	No reference
EC50 (functional)	= 0.6 uM	Tested against HIV-1 111B for Inhibition of viral replication by determining reduction of syncytia formation and antigen gp120 in C8166 cells, estimated by ELISA; value ranges from 0.6-6 microM	ChEMBL.	No reference
EC50 (functional)	= 3.2 uM	Inhibitory activity of the compound was determined against HIV-111B in C8166 cells	ChEMBL.	No reference
EC50 (functional)	= 3.2 uM	Inhibitory activity of the compound was determined against HIV-111B in C8166 cells	ChEMBL.	No reference
Ratio (functional)	= 10	Selectivity ratio of EC50(HIV-1) against TC50(C8166 cell line) of the compound was determined; value ranges from 10-167	ChEMBL.	No reference
Ratio (functional)	= 31	Selectivity ratio of TC50 to that of EC50	ChEMBL.	No reference
TC50 (functional)	= 100 uM	Compound was tested for toxicity against HIV-111B in C8166 cells	ChEMBL.	No reference
TC50 (functional)	= 100 uM	Compound was tested for toxicity against HIV-111B in C8166 cells	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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

PubChem: 467284

Bibliographic References

No literature references available for this target.

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Detailed information for compound 27360