Detailed information for compound 345638

Basic information

Technical information
  • TDR Targets ID: 345638
  • Name: N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phen yl]morpholine-4-carboxamide
  • MW: 383.226 | Formula: C17H16Cl2N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)NC(=O)N1CCOCC1
  • InChi: 1S/C17H16Cl2N2O4/c18-11-1-3-16(14(22)9-11)25-15-4-2-12(10-13(15)19)20-17(23)21-5-7-24-8-6-21/h1-4,9-10,22H,5-8H2,(H,20,23)
  • InChiKey: SYRBFAPNWNPMEH-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[3-chloro-4-(4-chloro-2-hydroxy-phenoxy)phenyl]morpholine-4-carboxamide
  • N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-4-morpholinecarboxamide
  • JP1

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
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
Neospora caninum enoyl-acyl carrier reductase, putative 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
Plasmodium falciparum enoyl-acyl carrier reductase 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
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
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 ulcerans enoyl-(acyl carrier protein) 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
Plasmodium berghei enoyl-acyl carrier 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
Echinococcus multilocularis sodium channel protein 0.0122 0.3408 0.9405
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0023 0.0129 0.0356
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 0.6787 0.5
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0128 0.3624 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0336 0.0926
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0223 0.6787 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0651 0.0956
Trichomonas vaginalis hypothetical protein 0.0223 0.6787 1
Loa Loa (eye worm) voltage-dependent calcium channel 0.0029 0.0348 0.1098
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0087 0.2268 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0129 0.0407
Loa Loa (eye worm) hypothetical protein 0.0098 0.2609 0.8225
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0129 0.0348
Loa Loa (eye worm) hypothetical protein 0.0047 0.0922 0.2907
Echinococcus granulosus voltage dependent calcium channel 0.0098 0.2609 0.7196
Echinococcus multilocularis voltage dependent calcium channel 0.0098 0.2609 0.7196
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 0.6787 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0052 0.1103 0.3039
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0098 0.2609 0.7196
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0128 0.3624 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0098 0.2609 0.7196
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0098 0.2609 0.7196
Loa Loa (eye worm) hypothetical protein 0.0019 0.0003 0.0009
Schistosoma mansoni voltage-gated cation channel 0.0098 0.2609 0.7196
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0336 0.1058
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 0.6787 0.6787
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0098 0.2609 0.7196
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0122 0.3408 0.9405
Echinococcus granulosus voltage dependent calcium channel 0.0029 0.0348 0.0954
Echinococcus multilocularis voltage gated potassium channel 0.0023 0.0129 0.0348
Echinococcus granulosus voltage gated potassium channel 0.0023 0.0129 0.0348
Brugia malayi Cyclic-nucleotide gated cation channel 0.0019 0.0003 0.0008
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0651 0.0956
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0019 0.0003 0.0009
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0098 0.2609 0.7199
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0064 0.1489 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 0.6787 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0098 0.2609 0.7196
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0128 0.3624 1
Echinococcus granulosus sodium channel protein 0.0087 0.2268 0.6255
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0052 0.1103 0.3045
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0098 0.2609 0.7196
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.1229 0.3387
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0098 0.2609 0.7196
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0098 0.2609 0.7196
Loa Loa (eye worm) calcium channel 0.0098 0.2609 0.8225
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.1229 0.3387
Mycobacterium ulcerans epoxide hydrolase EphA 0.032 1 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0019 0.0003 0.0009
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0129 0.0348
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0098 0.2609 0.7196
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0023 0.0129 0.0348
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0023 0.0129 0.0348
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0064 0.1489 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 0.6787 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 0.6787 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0052 0.1103 0.3479
Echinococcus multilocularis voltage dependent calcium channel 0.0098 0.2609 0.7196
Loa Loa (eye worm) hypothetical protein 0.0029 0.0348 0.1098
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0052 0.1103 0.3039
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0128 0.3624 1
Mycobacterium ulcerans ion transport protein 0.0086 0.2224 0.2224
Loa Loa (eye worm) voltage-gated potassium channel 0.0115 0.3172 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 66.8 uM Inhibition of drug sensitive Plasmodium falciparum 3D7 whole cell growth after 72 hrs exposure ChEMBL. 16198563
EC50 (functional) = 66.8 uM Inhibition of drug sensitive Plasmodium falciparum 3D7 whole cell growth after 72 hrs exposure ChEMBL. 16198563
EC50 (functional) = 86.4 uM Inhibition of drug resistant Plasmodium falciparum Dd2 whole cell growth after 72 hrs exposure ChEMBL. 16198563
EC50 (functional) = 86.4 uM Inhibition of drug resistant Plasmodium falciparum Dd2 whole cell growth after 72 hrs exposure ChEMBL. 16198563
EC50 (functional) = 100 uM Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition of parasite growth ChEMBL. 23313245
IC50 (binding) = 250 nM Inhibition of PfENR enzymatic activity ChEMBL. 16198563
IC50 (binding) = 250 nM Inhibition of PfENR enzymatic activity ChEMBL. 16198563

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

Bibliographic References

1 literature reference was collected for this gene.

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