TDR Targets

Basic information

Technical information

TDR Targets ID: 1178756
Name: 2-(chloromethyl)-1-methylpyridin-1-ium
MW: 142.606 | Formula: C7H9ClN+
H donors: 0 H acceptors: 0 LogP: 1.41 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: ClCc1cccc[n+]1C
InChi: 1S/C7H9ClN/c1-9-5-3-2-4-7(9)6-8/h2-5H,6H2,1H3/q+1
InChiKey: CMPOZIGABYOVIL-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-(chloromethyl)-1-methyl-pyridin-1-ium

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
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.1168	0.1168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.238	0.238
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0058	0.4101	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0023	0.1168	0.1168
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0077	0.5736	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0023	0.1168	0.0546
Echinococcus multilocularis	lamin	0.008	0.5969	1
Echinococcus multilocularis	lamin dm0	0.008	0.5969	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0077	0.5736	1
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0023	0.1168	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.4101	0.4101
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0077	0.5736	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0043	0.2858	0.2858
Brugia malayi	intermediate filament protein	0.008	0.5969	0.5969
Schistosoma mansoni	lamin	0.008	0.5969	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0023	0.1168	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0055	0.3837	0.6071
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.008	0.5969	0.5969
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1168	0.1168
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0023	0.1168	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1168	0.1168
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.1168	0.1168
Onchocerca volvulus		0.0077	0.5736	0.9513
Schistosoma mansoni	lamin	0.008	0.5969	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0058	0.4101	0.6617
Entamoeba histolytica	acyl-coA synthetase, putative	0.0077	0.5736	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0077	0.5736	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1168	0.1168
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0039	0.2503	0.4192
Loa Loa (eye worm)	hypothetical protein	0.008	0.5969	0.5969
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.1168	0.0546
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0077	0.5736	1
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0023	0.1168	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1168	0.1168
Loa Loa (eye worm)	hypothetical protein	0.0077	0.5736	0.5736
Brugia malayi	AMP-binding enzyme family protein	0.0077	0.5736	0.5736
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.1168	0.0546
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0055	0.3837	0.6071
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.1168	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0077	0.5736	0.5736
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0055	0.3837	0.6071
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0077	0.5736	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0077	0.5736	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0077	0.5736	1
Echinococcus multilocularis	musashi	0.008	0.5969	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0077	0.5736	1
Echinococcus granulosus	intermediate filament protein	0.008	0.5969	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0043	0.2858	0.2858
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0023	0.1168	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0058	0.4101	0.4101
Toxoplasma gondii	propionate-CoA ligase	0.0023	0.1168	0.5
Onchocerca volvulus		0.008	0.5969	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1168	0.1168
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.1168	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0077	0.5736	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0077	0.5736	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.5847	0.5847
Loa Loa (eye worm)	hypothetical protein	0.0058	0.4101	0.4101
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0023	0.1168	0.0546
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0023	0.1168	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0058	0.4101	0.4101
Onchocerca volvulus		0.008	0.5969	1
Echinococcus granulosus	lamin	0.008	0.5969	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1168	0.1168
Trichomonas vaginalis	antibiotic synthetase, putative	0.0023	0.1168	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0077	0.5736	1
Brugia malayi	Intermediate filament tail domain containing protein	0.008	0.5969	0.5969
Trichomonas vaginalis	antibiotic synthetase, putative	0.0023	0.1168	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0039	0.2503	0.4192
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.1168	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0077	0.5736	0.5736
Leishmania major	4-coumarate:coa ligase-like protein	0.0077	0.5736	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0023	0.1168	0.0546
Schistosoma mansoni	acetyl-CoA synthetase	0.0023	0.1168	0.1956
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0077	0.5736	1
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0023	0.1168	0.1956
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0023	0.1168	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2503	0.2503
Mycobacterium ulcerans	acyl-CoA synthetase	0.0077	0.5736	1
Plasmodium falciparum	acyl-CoA synthetase	0.0058	0.4101	1
Echinococcus granulosus	lamin dm0	0.008	0.5969	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0077	0.5736	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.1168	0.5
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0023	0.1168	0.0546
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.1168	0.0546
Mycobacterium ulcerans	hypothetical protein	0.0077	0.5736	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0023	0.1168	0.1168
Schistosoma mansoni	intermediate filament proteins	0.008	0.5969	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.4101	0.4101
Loa Loa (eye worm)	oxidoreductase	0.0023	0.1168	0.1168
Brugia malayi	AMP-binding enzyme family protein	0.0077	0.5736	0.5736
Loa Loa (eye worm)	hypothetical protein	0.0037	0.238	0.238
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0023	0.1168	0.1956
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0058	0.4101	0.6421
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0055	0.3837	0.6071
Plasmodium vivax	acyl-CoA synthetase, putative	0.0058	0.4101	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0023	0.1168	0.5
Loa Loa (eye worm)	intermediate filament protein	0.008	0.5969	0.5969
Loa Loa (eye worm)	hypothetical protein	0.0077	0.5736	0.5736

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

ChEMBL: CHEMBL1183030

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1178756