TDR Targets

Basic information

Technical information

TDR Targets ID: 590628
Name: 1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydr oimidazole hydrochloride
MW: 217.524 | Formula: C6H11Cl3N2
H donors: 0 H acceptors: 0 LogP: 1.42 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: ClCCN1CCN=C1CCl.Cl
InChi: 1S/C6H10Cl2N2.ClH/c7-1-3-10-4-2-9-6(10)5-8;/h1-5H2;1H
InChiKey: GDRCOZCGZICRFE-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

1-(2-chloroethyl)-2-(chloromethyl)-2-imidazoline hydrochloride
chlorimidazine
99103-36-3
1-Chloroethyl-2-chloromethyl-2-imidazoline
1H-Imidazole, 1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydro-, monohydrochloride
Chloroimidazine hcl

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
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.1033	0.5805
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.1033	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.1778	1
Brugia malayi	RNA binding protein	0.0064	0.3605	0.3791
Schistosoma mansoni	alpha-glucosidase	0.0136	0.8121	0.8121
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1778	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.1033	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.1778	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.1033	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.1033	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2389	0.2389
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0013	0.0395	0.0738
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0395	0.221
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.1778	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.1033	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0032	0.0034
Onchocerca volvulus		0.0092	0.5318	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.1033	0.5805
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2389	0.2511
Loa Loa (eye worm)	oxidoreductase	0.0007	0.0003	0.0003
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0665	0.6421
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.3605	0.3793
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0003	0.0003
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.1033	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.1778	0.1778
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.1033	0.5805
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0395	0.221
Echinococcus granulosus	lysosomal alpha glucosidase	0.0158	0.9504	0.9504
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.1033	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.1033	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.3605	0.3793
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0158	0.9504	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.1033	1
Onchocerca volvulus		0.0023	0.1033	0.1939
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0013	0.0395	0.221
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2389	0.2389
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3605	0.3605
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.1778	0.1868
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1033	0.1084
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.1033	1
Schistosoma mansoni	transient receptor potential channel	0.0007	0.0032	0.0032
Schistosoma mansoni	alpha glucosidase	0.0035	0.1778	0.1778
Trypanosoma brucei	glucosidase, putative	0.0035	0.1778	1
Echinococcus granulosus	transient receptor potential cation channel	0.0007	0.0032	0.0032
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.1778	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0395	0.221
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1033	0.1087
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0013	0.0395	0.221
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3605	0.3605
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3605	0.3605
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.1778	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0665	0.0699
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0605	0.5844
Echinococcus multilocularis	transient receptor potential cation channel	0.0007	0.0032	0.0032
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2389	0.2389
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0395	0.0416
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.0003	0.0003
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0665	0.6421
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1033	0.1084
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.1778	1
Echinococcus multilocularis	transient receptor potential cation channel	0.0007	0.0032	0.0032
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.1778	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0665	0.0699
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0158	0.9504	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3605	0.3605
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0605	0.5844
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0013	0.0395	0.0413
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1033	0.1084
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.1778	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0003	0.0003
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.1778	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.1033	0.5805
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0665	1
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.0003	0.0003
Schistosoma mansoni	alpha-glucosidase	0.0136	0.8121	0.8121
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.3605	0.3791
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0605	0.5844
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0003	0.0003
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.1778	0.1871
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0665	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.1778	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0395	0.221
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0665	0.5
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.1033	1
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Brugia malayi	olfactory channel protein osm-9	0.0007	0.0032	0.0031
Leishmania major	glycosyl hydrolase-like protein	0.0013	0.0395	0.221
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.9504	0.9504
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1033	0.1087
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0013	0.0395	0.221
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0013	0.0395	0.221
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0395	0.221
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2389	0.2389
Loa Loa (eye worm)	RNA binding protein	0.0064	0.3605	0.3793
Echinococcus granulosus	tar DNA binding protein	0.0064	0.3605	0.3605
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.1778	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.1778	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0665	0.0699
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.9504	0.9504
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0665	0.0699
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2389	0.2514
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.1033	0.5805
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1033	0.1087
Echinococcus multilocularis	short transient receptor potential channel 6	0.0007	0.0032	0.0032
Echinococcus multilocularis	geminin	0.0166	1	1
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0013	0.0395	0.221
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0605	0.5844
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2389	0.2389
Brugia malayi	TAR-binding protein	0.0064	0.3605	0.3791
Echinococcus granulosus	short transient receptor potential channel 6	0.0007	0.0032	0.0032
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.1778	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2389	0.2389
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2389	0.2389
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0395	0.221
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3605	0.3605
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.1778	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0665	0.0699
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1778	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.1033	0.5805
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.1033	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.3605	0.3605
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0395	0.221

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

Search by CAS
PubChem: 127229

Bibliographic References

No literature references available for this target.

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Detailed information for compound 590628