Detailed information for compound 514630

Basic information

Technical information
  • TDR Targets ID: 514630
  • Name: 2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phe nol
  • MW: 349.183 | Formula: C18H11Cl2FO2
  • H donors: 1 H acceptors: 1 LogP: 6.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl
  • InChi: 1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H
  • InChiKey: LFNMTUYVBXAAKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
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
Neospora caninum 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
Plasmodium knowlesi enoyl-acyl carrier reductase, putative 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
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
Plasmodium vivax 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
Chlamydia trachomatis enoyl-acyl-carrier protein 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MAP kinase sur-1 0.0056 0.2021 0.2306
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0198 0.0233
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.2021 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.8766 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.244 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 0.8513 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.2021 1
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0588 0.069
Brugia malayi Muscleblind-like protein 0.0165 0.6245 0.7124
Echinococcus granulosus muscleblind protein 0.0165 0.6245 1
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0015 0.0422 0.0496
Loa Loa (eye worm) retinol dehydrogenase 12 0.0015 0.0422 0.0481
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.2021 1
Schistosoma mansoni ferritin 0.0009 0.0198 0.0812
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.1115 0.1786
Schistosoma mansoni ferritin light chain 0.0009 0.0198 0.0812
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0015 0.0422 0.173
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.2021 0.3236
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0198 0.0233
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.2021 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.244 0.2866
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.244 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0019 0.0588 0.069
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0223 0.8513 1
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.2021 0.3236
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.1115 0.1786
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.1115 0.131
Loa Loa (eye worm) hypothetical protein 0.0165 0.6245 0.7124
Loa Loa (eye worm) oxidoreductase 0.0015 0.0422 0.0481
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0198 0.0233
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.244 0.3907
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0422 0.0481
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0015 0.0422 0.0496
Mycobacterium tuberculosis Possible oxidoreductase 0.0015 0.0422 0.0496
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 0.8513 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 0.8513 1
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.2021 0.3236
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.2021 0.2021
Plasmodium vivax SET domain protein, putative 0.0033 0.1115 0.131
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0015 0.0422 0.0496
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0588 0.069
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0015 0.0422 0.0496
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1115 0.4571
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.2021 0.2021
Schistosoma mansoni apoferritin-2 0.0009 0.0198 0.0812
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.2021 0.8282
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Trichomonas vaginalis hypothetical protein 0.0223 0.8513 0.8513
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0198 0.0233
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0015 0.0422 0.0676
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0198 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.2296 0.2697
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1115 0.4571
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Echinococcus multilocularis expressed protein 0.0009 0.0198 0.0317
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0015 0.0422 0.2088
Trypanosoma brucei oxidoreductase-like protein 0.0019 0.0588 0.2908
Mycobacterium tuberculosis Possible oxidoreductase 0.0015 0.0422 0.0496
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0015 0.0422 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.2021 0.2021
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.2021 0.2306
Schistosoma mansoni ferritin light chain 0.0009 0.0198 0.0812
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0015 0.0422 0.0676
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.2296 0.2697
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.2021 1
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Leishmania major oxidoreductase-like protein 0.0019 0.0588 0.2409
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0588 0.069
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 0.8513 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0015 0.0422 0.2088
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.2021 0.8282
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.2021 0.2021
Schistosoma mansoni ferritin 0.0009 0.0198 0.0812
Loa Loa (eye worm) hypothetical protein 0.0165 0.6245 0.7124
Echinococcus multilocularis ferritin 0.0009 0.0198 0.0317
Onchocerca volvulus 0.0015 0.0422 0.0422
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0019 0.0588 0.2908
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.244 0.2866
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 0.8513 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.244 0.2866
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0198 0.0233
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.244 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.2296 0.2619
Trichomonas vaginalis ferritin, putative 0.0009 0.0198 0.0198
Schistosoma mansoni ferritin 0.0009 0.0198 0.0812
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans oxidoreductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.244 0.2866
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0015 0.0422 0.0496
Schistosoma mansoni dihydropteridine reductase 0.0015 0.0422 0.173
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0015 0.0422 0.0496
Schistosoma mansoni ferritin 0.0009 0.0198 0.0812
Onchocerca volvulus 0.0033 0.1115 0.1115
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0015 0.0422 0.0496
Loa Loa (eye worm) hypothetical protein 0.0033 0.1115 0.1272
Onchocerca volvulus 0.0019 0.0588 0.0588
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0019 0.0588 0.069
Leishmania major pteridine reductase 1 0.0019 0.0588 0.2409
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 0.8513 1
Echinococcus multilocularis muscleblind protein 0.0165 0.6245 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.2296 0.3677
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.2296 0.941
Schistosoma mansoni apoferritin-2 0.0009 0.0198 0.0812
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.2021 0.3236
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 0.8513 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Echinococcus granulosus ferritin 0.0009 0.0198 0.0317
Brugia malayi Pre-SET motif family protein 0.0033 0.1115 0.1272
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.1115 0.4571
Brugia malayi Pre-SET motif family protein 0.023 0.8766 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0015 0.0422 0.173
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0015 0.0422 0.173
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.2021 1
Echinococcus multilocularis muscleblind protein 1 0.0165 0.6245 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.2021 0.2374
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.2296 0.941
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0015 0.0422 0.0496
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.244 0.3907
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.1068 0.1711
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.1115 0.1786
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1115 0.4571
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0019 0.0588 0.069
Loa Loa (eye worm) hypothetical protein 0.0015 0.0422 0.0481
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0015 0.0422 0.0496
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0015 0.0422 0.0496
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0198 0.0233
Trypanosoma brucei pteridine reductase 1 0.0015 0.0422 0.2088
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.244 0.2866
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0015 0.0422 0.0496
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.2296 0.2697
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0422 0.0496
Echinococcus granulosus expressed protein 0.0009 0.0198 0.0317
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.2021 0.8282
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.2718 0.3101
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.2296 0.3677
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0015 0.0422 0.0496
Trichomonas vaginalis set domain proteins, putative 0.0262 1 1
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0015 0.0422 0.0496
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0015 0.0422 0.2088
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0422 0.0496
Trypanosoma brucei protein kinase, putative 0.0056 0.2021 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0015 0.0422 0.173
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0422 0.0481

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 2.1 uM Antimalarial activity against Plasmodium falciparum 3D7 [3H]hypoxanthine uptake method ChEMBL. 17567585
EC50 (functional) = 2.1 uM Antimalarial activity against Plasmodium falciparum 3D7 [3H]hypoxanthine uptake method ChEMBL. 17567585
EC50 (functional) = 3.1 uM Antimalarial activity against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake method ChEMBL. 17567585
EC50 (functional) = 3.1 uM Antimalarial activity against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake method ChEMBL. 17567585
IC50 (binding) = 38 nM Inhibition of Plasmodium falciparum ENR ChEMBL. 17567585
IC50 (binding) = 38 nM Inhibition of Plasmodium falciparum ENR ChEMBL. 17567585

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 17567585

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

Bibliographic References

1 literature reference was collected for this gene.

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