TDR Targets

Basic information

Technical information

TDR Targets ID: 207828
Name: 2-hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imida zole
MW: 284.439 | Formula: C19H28N2
H donors: 1 H acceptors: 1 LogP: 6.13 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCc1[nH]cc(n1)c1ccc(cc1)CC(C)C
InChi: 1S/C19H28N2/c1-4-5-6-7-8-19-20-14-18(21-19)17-11-9-16(10-12-17)13-15(2)3/h9-12,14-15H,4-8,13H2,1-3H3,(H,20,21)
InChiKey: DJDWXDSQUIVYCH-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-hexyl-5-(4-isobutylphenyl)-1H-imidazole
2-hexyl-4-[4-(2-methylpropyl)phenyl]-3H-imidazole
2-hexyl-4-(4-isobutylphenyl)-3H-imidazole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Sodium channel alpha subunits; brain (Types I, II, III)	Starlite/ChEMBL	References

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	BC026374 protein (S09 family)	0.0038	0.0076	0.0075
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0036	0.2269
Onchocerca volvulus		0.0038	0.0076	0.01
Schistosoma mansoni	BC026374 protein (S09 family)	0.0038	0.0076	0.0075
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0036	0.2269
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0434	0.1447	1
Echinococcus granulosus	muscleblind protein	0.0145	0.0447	0.0446
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0224	0.0722	0.0721
Echinococcus multilocularis	muscleblind protein	0.0145	0.0447	0.0446
Loa Loa (eye worm)	MH2 domain-containing protein	0.0236	0.0762	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0057	0.0056
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0038	0.0076	0.0075
Brugia malayi	Flap endonuclease-1	0.0026	0.0036	0.0036
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0434	0.1447	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0076	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0224	0.0721	0.072
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.0036	0.0043
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0038	0.0076	0.5
Loa Loa (eye worm)	hypothetical protein	0.0597	0.2012	0.2011
Onchocerca volvulus		0.0434	0.1447	0.711
Trichomonas vaginalis	spcc417.12 protein, putative	0.0038	0.0076	0.0509
Trypanosoma brucei	hypothetical protein, conserved	0.0434	0.1447	1
Brugia malayi	Carboxylesterase family protein	0.0038	0.0076	0.0076
Brugia malayi	MH2 domain containing protein	0.0236	0.0762	0.0762
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0038	0.0076	0.0075
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0434	0.1447	0.1447
Plasmodium vivax	SET domain protein, putative	0.0032	0.0057	1
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.0447	0.0446
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0036	0.0035
Echinococcus multilocularis	acetylcholinesterase	0.0224	0.0721	0.072
Schistosoma mansoni	eyes absent homolog	0.0089	0.0252	0.0251
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0038	0.0076	0.5
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0053	0.0052
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0057	0.0056
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0057	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0447	0.0446
Leishmania major	carnitine palmitoyltransferase-like protein	0.0434	0.1447	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0038	0.0076	0.0075
Loa Loa (eye worm)	carboxylesterase	0.0224	0.0721	0.072
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0036	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0447	0.0446
Brugia malayi	Carboxylesterase family protein	0.0038	0.0076	0.0076
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0036	0.0043
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0224	0.0721	0.072
Onchocerca volvulus		0.0038	0.0076	0.01
Echinococcus multilocularis	neuroligin	0.0038	0.0076	0.0075
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0434	0.1447	0.1447
Onchocerca volvulus		0.0038	0.0076	0.01
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0076	0.0075
Loa Loa (eye worm)	carboxylesterase	0.0038	0.0076	0.0075
Trypanosoma cruzi	hypothetical protein, conserved	0.0434	0.1447	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0434	0.1447	1
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0434	0.1447	1
Brugia malayi	Carboxylesterase family protein	0.0038	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0076	0.0075
Trypanosoma cruzi	hypothetical protein, conserved	0.0434	0.1447	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0434	0.1447	0.1446
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0066	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0076	0.0075
Brugia malayi	Carboxylesterase family protein	0.0038	0.0076	0.0076
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0036	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0252	0.0251
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0434	0.1447	1
Loa Loa (eye worm)	carboxylesterase	0.0038	0.0076	0.0075
Loa Loa (eye worm)	acetylcholinesterase 1	0.0224	0.0721	0.072
Schistosoma mansoni	hypothetical protein	0.0035	0.0066	0.0065
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0434	0.1447	1
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0036	1
Brugia malayi	hypothetical protein	0.0038	0.0076	0.0076
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0036	0.0043
Brugia malayi	hypothetical protein	0.0024	0.003	0.003
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0057	0.0056
Onchocerca volvulus		0.0434	0.1447	0.711
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0038	0.0076	0.0075
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0038	0.0076	0.0075
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0434	0.1447	0.1446
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0434	0.1447	1
Onchocerca volvulus		0.0434	0.1447	0.711
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0057	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0252	0.0251
Loa Loa (eye worm)	transcription factor SMAD2	0.0236	0.0762	0.0761
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0057	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0076	0.0075
Brugia malayi	MH1 domain containing protein	0.0016	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0434	0.1447	0.1446
Echinococcus granulosus	para nitrobenzyl esterase	0.0038	0.0076	0.0075
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0066	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0076	0.0075
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0434	0.1447	1
Echinococcus multilocularis	acetylcholinesterase	0.0224	0.0721	0.072
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0434	0.1447	0.1447
Onchocerca volvulus		0.0597	0.2012	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0038	0.0076	0.0075
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0057	0.0056
Echinococcus granulosus	BC026374 protein S09 family	0.0038	0.0076	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0024	0.003	0.0029
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0038	0.0076	0.0509
Loa Loa (eye worm)	choline O-acetyltransferase	0.2906	1	1
Brugia malayi	Pre-SET motif family protein	0.0224	0.0722	0.0722
Brugia malayi	hypothetical protein	0.0597	0.2012	0.2012
Echinococcus multilocularis	choline O acetyltransferase	0.2906	1	1
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0434	0.1447	1
Schistosoma mansoni	choline o-acyltransferase	0.2906	1	1
Leishmania major	carnitine/choline acetyltransferase, putative	0.0434	0.1447	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0038	0.0076	0.5
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0434	0.1447	0.1446
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0434	0.1447	1
Onchocerca volvulus		0.0038	0.0076	0.01
Brugia malayi	Smad1	0.0016	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0224	0.0721	0.072
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0038	0.0076	0.0075
Brugia malayi	Carboxylesterase family protein	0.0224	0.0721	0.0721
Onchocerca volvulus		0.0038	0.0076	0.01
Loa Loa (eye worm)	hypothetical protein	0.2906	1	1
Onchocerca volvulus		0.0434	0.1447	0.711
Trypanosoma cruzi	hypothetical protein, conserved	0.0434	0.1447	1
Brugia malayi	Muscleblind-like protein	0.0145	0.0447	0.0447
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0038	0.0076	0.5
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0434	0.1447	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0076	0.0075
Echinococcus granulosus	neuroligin	0.0038	0.0076	0.0075
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0434	0.1447	1
Schistosoma mansoni	gliotactin	0.0038	0.0076	0.0075
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0434	0.1447	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	1
Schistosoma mansoni	acetylcholinesterase	0.0038	0.0076	0.0075
Brugia malayi	Pre-SET motif family protein	0.0032	0.0057	0.0057
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0066	0.0065
Brugia malayi	MH2 domain containing protein	0.0016	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0089	0.0252	0.0252
Schistosoma mansoni	hypothetical protein	0.0164	0.0514	0.0513
Echinococcus granulosus	acetylcholinesterase	0.0224	0.0721	0.072
Echinococcus granulosus	acetylcholinesterase	0.0224	0.0721	0.072
Brugia malayi	Carboxylesterase family protein	0.0224	0.0721	0.0721
Schistosoma mansoni	hypothetical protein	0.0164	0.0514	0.0513
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0057	0.0056
Brugia malayi	MH1 domain containing protein	0.0016	0.0001	0.0001
Echinococcus granulosus	choline O acetyltransferase	0.2906	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0057	0.0056
Brugia malayi	hypothetical protein	0.0035	0.0066	0.0066
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0434	0.1447	1
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0434	0.1447	0.1446
Schistosoma mansoni	choline o-acyltransferase	0.0434	0.1447	0.1446
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.0036	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0434	0.1447	1
Echinococcus granulosus	geminin	0.0164	0.0514	0.0513
Brugia malayi	MH2 domain containing protein	0.0016	0.0001	0.0001
Brugia malayi	Choline O-acetyltransferase	0.2906	1	1
Echinococcus granulosus	carboxylesterase 5A	0.0224	0.0721	0.072
Onchocerca volvulus		0.0255	0.0829	0.395
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0434	0.1447	0.1446
Schistosoma mansoni	flap endonuclease-1	0.0024	0.0027	0.0026
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0434	0.1447	0.1446
Trichomonas vaginalis	set domain proteins, putative	0.0255	0.0829	1
Echinococcus multilocularis	geminin	0.0164	0.0514	0.0513
Echinococcus multilocularis	carboxylesterase 5A	0.0224	0.0721	0.072

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 28 nM	Concentration required to inhibit [3H]-BTX binding to Sodium channel of rat brain	ChEMBL.	15177465
IC50 (binding)	= 28 nM	Concentration required to inhibit [3H]-BTX binding to Sodium channel of rat brain	ChEMBL.	15177465
IC50 (functional)	= 380 nM	Cytoprotection of SH-SY5Y cells against veratridine-induced cytotoxicity	ChEMBL.	15177465
IC50 (functional)	= 380 nM	Cytoprotection of SH-SY5Y cells against veratridine-induced cytotoxicity	ChEMBL.	15177465

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15177465

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: 9795821

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 207828