TDR Targets

Basic information

Technical information

TDR Targets ID: 1266833
Name: 1-[2-(3,4-dichlorophenoxy)ethyl]imidazole; ox alic acid
MW: 347.151 | Formula: C13H12Cl2N2O5
H donors: 2 H acceptors: 5 LogP: 2.62 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(=O)O.Clc1ccc(cc1Cl)OCCn1cncc1
InChi: 1S/C11H10Cl2N2O.C2H2O4/c12-10-2-1-9(7-11(10)13)16-6-5-15-4-3-14-8-15;3-1(4)2(5)6/h1-4,7-8H,5-6H2;(H,3,4)(H,5,6)
InChiKey: OGJWXUSXCDWAOQ-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-(3,4-dichlorophenoxy)ethyl]imidazole; ethanedioic acid
MLS001163557
SMR000497370
1-[2-(3,4-dichlorophenoxy)ethyl]-1H-imidazole oxalate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1426	0.1426
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Trypanosoma brucei	prostaglandin f synthase	0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Echinococcus granulosus	aldo keto reductase	0.0176	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0527	0.0527
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0051	0.1117	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.179	0.179
Loa Loa (eye worm)	oxidoreductase	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Onchocerca volvulus		0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase	0.0176	1	1
Loa Loa (eye worm)	oxidoreductase	0.0176	1	1
Leishmania major	aldo-keto reductase-like protein	0.0176	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0176	1	1
Giardia lamblia	Aldose reductase	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0176	1	1
Schistosoma mansoni	aldo-keto reductase	0.0176	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1426	0.1426
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0176	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1426	0.1426
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.2668	0.2668
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Entamoeba histolytica	aldose reductase, putative	0.0176	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1426	0.1426
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0051	0.1117	0.1117
Brugia malayi	jmjC domain containing protein	0.0115	0.5701	0.5701
Leishmania major	prostaglandin f synthase, putative	0.0176	1	1
Mycobacterium ulcerans	oxidoreductase	0.0176	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1426	0.1426
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0176	1	1
Schistosoma mansoni	pol-related	0.0176	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1426	0.1426
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0176	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0176	1	1
Loa Loa (eye worm)	oxidoreductase	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase	0.0176	1	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0527	0.0527
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1426	0.1426
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1426	0.1426
Toxoplasma gondii	aldose reductase, putative	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0051	0.1117	0.1117
Giardia lamblia	Aldose reductase	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase	0.0176	1	1
Onchocerca volvulus		0.0176	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.4014	0.4014
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Onchocerca volvulus		0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0176	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0176	1	1
Echinococcus granulosus	hypothetical protein	0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Echinococcus granulosus	aldo keto reductase	0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Onchocerca volvulus		0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0051	0.1117	0.1117
Brugia malayi	jmjC domain containing protein	0.0043	0.0527	0.0527
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase	0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Echinococcus granulosus	aldehyde reductase	0.0125	0.6378	0.6378
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0176	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0125	0.6378	0.5922
Loa Loa (eye worm)	oxidoreductase	0.0176	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0051	0.1117	1
Echinococcus multilocularis	aldehyde reductase	0.0125	0.6378	0.6378
Trichomonas vaginalis	aldo/keto reductase, putative	0.0176	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1426	0.1426
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0527	0.0527
Schistosoma mansoni	potassium channel beta	0.0051	0.1117	0.1117
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0527	0.0527
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0176	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.5701	0.5701
Trypanosoma cruzi	aldo/keto reductase, putative	0.0176	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0176	1	1
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0981	0.0981
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0981	0.0981
Entamoeba histolytica	aldose reductase, putative	0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0051	0.1117	0.1117
Toxoplasma gondii	aldo-keto reductase	0.0051	0.1117	0.1117
Entamoeba histolytica	aldose reductase, putative	0.0176	1	1
Schistosoma mansoni	aldo-keto reductase	0.0176	1	1
Trypanosoma cruzi	aldo-keto reductase	0.0176	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Echinococcus granulosus	aldo keto reductase	0.0176	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Plasmodium falciparum	aldehyde reductase, putative	0.0051	0.1117	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0176	1	1
Onchocerca volvulus		0.0051	0.1117	0.1117
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0051	0.1117	0.1117
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0051	0.1117	0.1117
Onchocerca volvulus		0.0176	1	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0527	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0176	1	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0051	0.1117	0.1117
Trichomonas vaginalis	aldo-keto reductase, putative	0.0176	1	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0051	0.1117	0.1117
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.5701	0.5701
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0176	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0176	1	1
Loa Loa (eye worm)	oxidoreductase	0.0176	1	1
Plasmodium vivax	aldehyde reductase, putative	0.0051	0.1117	1
Onchocerca volvulus		0.0176	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8913 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
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

ChEMBL: CHEMBL1375511

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1266833