TDR Targets

Basic information

Technical information

TDR Targets ID: 514593
Name: 2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phe nol
MW: 373.272 | Formula: C21H18Cl2O2
H donors: 1 H acceptors: 1 LogP: 7.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)Oc1ccc(cc1O)CCCc1ccccc1
InChi: 1S/C21H18Cl2O2/c22-17-10-12-20(18(23)14-17)25-21-11-9-16(13-19(21)24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,24H,4,7-8H2
InChiKey: MJRPBNSOVIMDHN-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

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	enoyl-acyl carrier reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	enoyl-acyl carrier reductase, putative	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium knowlesi	enoyl-acyl carrier reductase, putative	Get druggable targets OG5_130466	All targets in OG5_130466
Trichomonas vaginalis	hypothetical protein	Get druggable targets OG5_130466	All targets in OG5_130466
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium falciparum	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	Get druggable targets OG5_130466	All targets in OG5_130466
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium berghei	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium yoelii	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium vivax	enoyl-acyl carrier protein reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	Get druggable targets OG5_130466	All targets in OG5_130466

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	pteridine reductase 1	0.0015	0.0109	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0015	0.0109	0.0432
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0502	0.059
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0059	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0059	0.0235
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0502	0.1992
Brugia malayi	ecdysteroid receptor	0.0011	0.0059	0.0235
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0059	0.007
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0059	0.0235
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0059	0.007
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0059	0.007
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0059	0.007
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0015	0.0109	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.013	0.0152
Schistosoma mansoni	hypothetical protein	0.0017	0.013	0.0152
Plasmodium vivax	SET domain protein, putative	0.0032	0.0304	0.0812
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0502	0.059
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0059	0.0235
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0059	0.0235
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0059	0.007
Echinococcus multilocularis	muscleblind protein 1	0.016	0.1788	0.1788
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0059	0.007
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0059	0.007
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0059	0.0059
Onchocerca volvulus		0.0032	0.0304	0.0871
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0059	0.0235
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0059	0.0235
Echinococcus granulosus	microtubule associated protein 2	0.0741	0.85	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0059	0.0235
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0059	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0357	0.1417
Loa Loa (eye worm)	hypothetical protein	0.016	0.1788	0.7103
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0553	0.2195
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0553	0.2195
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0223	0.2517	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0502	0.059
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0015	0.0109	0.0128
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0059	0.0059
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0223	0.2517	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0059	0.007
Schistosoma mansoni	hypothetical protein	0.0017	0.013	0.0152
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0015	0.0109	0.5
Onchocerca volvulus		0.0015	0.0109	0.0176
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0223	0.2517	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0059	0.0235
Brugia malayi	steroid hormone receptor	0.0011	0.0059	0.0235
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0059	0.0059
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0059	0.007
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0502	0.1992
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0223	0.2517	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0502	0.059
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0304	0.0358
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0059	0.0235
Trichomonas vaginalis	set domain proteins, putative	0.0254	0.2874	1
Loa Loa (eye worm)	hypothetical protein	0.016	0.1788	0.7103
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0357	0.1417
Loa Loa (eye worm)	oxidoreductase	0.0015	0.0109	0.0432
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0015	0.0109	0.0109
Echinococcus multilocularis	GPCR, family 2	0.0017	0.013	0.013
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0015	0.0109	0.0128
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.013	0.0152
Brugia malayi	nuclear hormone receptor	0.0011	0.0059	0.0235
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0059	0.007
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0059	0.0235
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0059	0.0235
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0059	0.0235
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0502	0.0502
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0304	0.0358
Brugia malayi	Muscleblind-like protein	0.016	0.1788	0.7103
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.013	0.0515
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0059	0.0059
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0059	0.0235
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0059	0.0235
Schistosoma mansoni	microtubule-associated protein tau	0.0741	0.85	1
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0015	0.0109	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0015	0.0109	0.5
Trypanosoma brucei	pteridine reductase 1	0.0015	0.0109	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0304	0.0358
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0015	0.0109	0.0432
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0015	0.0109	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0109	0.0432
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0304	0.0358
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0059	0.0235
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0059	0.0235
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0304	0.0358
Onchocerca volvulus		0.0254	0.2874	1
Brugia malayi	Pre-SET motif family protein	0.0223	0.2517	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0502	0.0502
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0059	0.007
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0059	0.0235
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0059	0.007
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0223	0.2517	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0059	0.0059
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0291	0.0342
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0059	0.007
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0059	0.0235
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0059	0.0059
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0015	0.0109	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0059	0.007
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0059	0.007
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0059	0.0235
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0015	0.0109	0.0432
Echinococcus granulosus	GPCR family 2	0.0017	0.013	0.0152
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0015	0.0109	0.0432
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0059	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0304	0.1209
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0059	0.0235
Schistosoma mansoni	hypothetical protein	0.0037	0.0357	0.042
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0059	0.0059
Onchocerca volvulus		0.0015	0.0109	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0059	0.007
Loa Loa (eye worm)	hypothetical protein	0.0017	0.013	0.0515
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.013	0.0515
Schistosoma mansoni	hypothetical protein	0.0017	0.013	0.0152
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0223	0.2517	1
Echinococcus granulosus	muscleblind protein	0.016	0.1788	0.2104
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.013	0.0152
Echinococcus multilocularis	microtubule associated protein 2	0.0741	0.85	0.85
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0059	0.007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0059	0.0235
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0059	0.007
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0015	0.0109	0.5
Brugia malayi	Pre-SET motif family protein	0.0032	0.0304	0.1209
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0059	0.007
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0223	0.2517	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Echinococcus multilocularis	muscleblind protein	0.016	0.1788	0.1788
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0015	0.0109	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0059	0.0059
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0553	0.2195
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0502	0.059
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.013	0.013
Schistosoma mansoni	coup transcription factor	0.0011	0.0059	0.007
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0059	0.007
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0304	0.0304
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0059	0.0235
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0059	0.0235
Schistosoma mansoni	dihydropteridine reductase	0.0015	0.0109	0.0128
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0553	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0235
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0059	0.007
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0223	0.2517	1
Leishmania major	oxidoreductase-like protein	0.0015	0.0109	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.013	0.0515
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0304	0.0812
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0223	0.2517	1
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0015	0.0109	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 6.4 uM	Antimalarial activity against Plasmodium falciparum 3D7 [3H]hypoxanthine uptake method	ChEMBL.	17567585
EC50 (functional)	= 6.4 uM	Antimalarial activity against Plasmodium falciparum 3D7 [3H]hypoxanthine uptake method	ChEMBL.	17567585
EC50 (functional)	= 7.2 uM	Antimalarial activity against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake method	ChEMBL.	17567585
EC50 (functional)	= 7.2 uM	Antimalarial activity against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake method	ChEMBL.	17567585
IC50 (binding)	= 440 nM	Inhibition of Plasmodium falciparum ENR	ChEMBL.	17567585
IC50 (binding)	= 440 nM	Inhibition of Plasmodium falciparum ENR	ChEMBL.	17567585
IC50 (functional)	= 0.05 uM	Antitubercular activity against Mycobacterium tuberculosis H37Rv after 7 days	ChEMBL.	20727773
MIC (functional)	= 50 uM	Antitubercular activity against Mycobacterium tuberculosis H37Rv after 7 days	ChEMBL.	20727773

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	17567585
Mycobacterium tuberculosis		20727773

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: CHEMBL259880
PubChem: 16220126

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 514593