Detailed information for compound 1388323

Basic information

Technical information
  • TDR Targets ID: 1388323
  • Name: 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N- [(4-chlorophenyl)methyl]acetamide
  • MW: 395.28 | Formula: C19H20Cl2N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.88 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)COc1cccc(c1)Cl)CC(=O)NCc1ccc(cc1)Cl
  • InChi: 1S/C19H20Cl2N2O3/c1-2-23(19(25)13-26-17-5-3-4-16(21)10-17)12-18(24)22-11-14-6-8-15(20)9-7-14/h3-10H,2,11-13H2,1H3,(H,22,24)
  • InChiKey: LTNJTMMJEOWPMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(3-chlorophenoxy)acetyl]-ethyl-amino]-N-[(4-chlorophenyl)methyl]acetamide
  • 2-[[2-(3-chlorophenoxy)-1-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
  • N-(4-chlorobenzyl)-2-[[2-(3-chlorophenoxy)acetyl]-ethyl-amino]acetamide
  • 2-[2-(3-chlorophenoxy)ethanoyl-ethyl-amino]-N-[(4-chlorophenyl)methyl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni glucose transport protein 0.0102 0.3634 0.4484
Loa Loa (eye worm) sugar transporter 0.0102 0.3634 0.3634
Leishmania major glucose transporter, lmgt2 0.0032 0.0553 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0553 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Plasmodium falciparum hexose transporter 0.0102 0.3634 1
Echinococcus granulosus General substrate transporter 0.0088 0.3006 0.3006
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Trypanosoma brucei glucose transporter 1E 0.0032 0.0553 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.3634 0.3634
Schistosoma mansoni hypothetical protein 0.0205 0.8104 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.3634 0.3634
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0001 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0001 0.0001
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0553 1
Leishmania major glucose transporter, lmgt1 0.0032 0.0553 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1797 0.1797
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0001 0.0001
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0553 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Schistosoma mansoni glucose transport protein 0.0102 0.3634 0.4484
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Echinococcus granulosus neuropeptide FF receptor 2 0.0248 1 1
Echinococcus multilocularis geminin 0.0205 0.8104 0.8104
Schistosoma mansoni hypothetical protein 0.0041 0.0965 0.1191
Trypanosoma brucei glucose transporter 2A 0.0032 0.0553 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.3634 0.3634
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.3634 0.3634
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1797 0.1797
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Echinococcus granulosus geminin 0.0205 0.8104 0.8104
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0553 1
Schistosoma mansoni hypothetical protein 0.0205 0.8104 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0248 1 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.3634 1
Schistosoma mansoni hypothetical protein 0.0102 0.3634 0.4484
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.3634 0.3634
Trypanosoma brucei glucose transporter, putative 0.0032 0.0553 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0553 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.3634 0.3634
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.3634 0.3634
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0001 0.0002
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.3634 0.3634
Echinococcus multilocularis General substrate transporter 0.0088 0.3006 0.3006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Leishmania major glucose transporter, lmgt3 0.0032 0.0553 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1797 0.1797
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.3634 1
Brugia malayi Sugar transporter family protein 0.0102 0.3634 0.3634
Schistosoma mansoni glucose transport protein 0.0102 0.3634 0.4484
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0553 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0965 0.0965
Loa Loa (eye worm) hypothetical protein 0.0248 1 1
Trypanosoma cruzi hexose transporter 0.0032 0.0553 1
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0553 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0001 0.0001
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0001 0.0001
Plasmodium vivax hexose transporter 0.0102 0.3634 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0965 0.0965
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1797 0.1797

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0291 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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

Bibliographic References

No literature references available for this target.

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