Detailed information for compound 1403020

Basic information

Technical information
  • TDR Targets ID: 1403020
  • Name: 2,2-dichloro-N-[4-[[4-[(2,2-dichloroacetyl)am ino]cyclohexyl]methyl]cyclohexyl]acetamide
  • MW: 432.213 | Formula: C17H26Cl4N2O2
  • H donors: 2 H acceptors: 2 LogP: 5.14 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC(C(=O)NC1CCC(CC1)CC1CCC(CC1)NC(=O)C(Cl)Cl)Cl
  • InChi: 1S/C17H26Cl4N2O2/c18-14(19)16(24)22-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)23-17(25)15(20)21/h10-15H,1-9H2,(H,22,24)(H,23,25)
  • InChiKey: ICSIXNRPKOCTCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,2-dichloro-N-[4-[[4-[(2,2-dichloro-1-oxoethyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide
  • 2,2-dichloro-N-[4-[[4-(2,2-dichloroethanoylamino)cyclohexyl]methyl]cyclohexyl]ethanamide
  • MLS001000995
  • N,N'-(methylenedi-4,1-cyclohexanediyl)bis(2,2-dichloroacetamide)
  • SMR000497492
  • IVK/8182905

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.005 0.0187 0.0584
Leishmania major extracellular receptor, putative 0.0145 0.0747 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.07 0.07
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0025 0.0064
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0025 0.034
Brugia malayi Glutamate receptor 2 precursor 0.056 0.3205 1
Schistosoma mansoni ATP-binding cassette transporter 0.056 0.3205 0.7887
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.0064
Schistosoma mansoni glutamate receptor NMDA 0.056 0.3205 0.7887
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0145 0.0747 0.2332
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.0064
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0456 0.1424
Echinococcus multilocularis glutamate receptor 2 0.0705 0.4063 0.4063
Schistosoma mansoni glutamate receptor AMPA 0.056 0.3205 0.7887
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0705 0.4063 0.4063
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0025 0.034
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.004 0.0123
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0145 0.0747 0.0747
Schistosoma mansoni protein kinase 0.0145 0.0747 0.1839
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0705 0.4063 0.4063
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0283 0.1563 0.1563
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0008
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0025 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0002 0.0002
Brugia malayi hypothetical protein 0.0019 0.0002 0.0008
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0691 0.3985 1
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0145 0.0747 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0456 0.1424
Echinococcus granulosus metabotropic glutamate receptor 5 0.0145 0.0747 0.0747
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.0064
Echinococcus multilocularis receptor type guanylyl cyclase 0.0145 0.0747 0.0747
Brugia malayi hypothetical protein 0.0019 0.0002 0.0008
Echinococcus granulosus nmda type glutamate receptor 0.0974 0.5659 0.5659
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0035 0.0096 0.0237
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0145 0.0747 0.2332
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0705 0.4063 0.4063
Mycobacterium ulcerans hypothetical protein 0.0023 0.0025 0.0064
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0132 0.0413
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.056 0.3205 0.3205
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0283 0.1563 0.1563
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0691 0.3985 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0705 0.4063 1
Echinococcus granulosus glutamate receptor 2 0.0422 0.2388 0.2388
Echinococcus multilocularis expressed conserved protein 0.009 0.0422 0.0422
Echinococcus granulosus atrial natriuretic peptide receptor 0.0145 0.0747 0.0747
Schistosoma mansoni hypothetical protein 0.004 0.0123 0.0304
Echinococcus granulosus receptor type guanylyl cyclase 0.0145 0.0747 0.0747
Schistosoma mansoni metabotropic glutamate receptor 0.0145 0.0747 0.1839
Brugia malayi metabotropic glutamate receptor type 2 0.0145 0.0747 0.2332
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Loa Loa (eye worm) glutamate receptor 1 0.056 0.3205 1
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0132 0.0132
Schistosoma mansoni hypothetical protein 0.004 0.0123 0.0304
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.0079
Schistosoma mansoni hypothetical protein 0.004 0.0123 0.0304
Schistosoma mansoni lipoxygenase 0.008 0.0364 0.0896
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0025 0.034
Echinococcus granulosus RUN 0.0019 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0047 0.0167 0.041
Brugia malayi hypothetical protein 0.0035 0.0096 0.03
Entamoeba histolytica hypothetical protein 0.0035 0.0096 0.1287
Entamoeba histolytica hypothetical protein 0.0035 0.0096 0.1287
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Loa Loa (eye worm) RGC/RGC protein kinase 0.0145 0.0747 0.2332
Onchocerca volvulus 0.0145 0.0747 1
Schistosoma mansoni metabotropic glutamate receptor 0.0145 0.0747 0.1839
Loa Loa (eye worm) RGC/RGC protein kinase 0.0145 0.0747 0.2332
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0002 0.0008
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.0569 0.0569
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0008
Schistosoma mansoni glutamate receptor kainate 0.056 0.3205 0.7887
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0167 0.052
Schistosoma mansoni loxhd1 0.0019 0.0002 0.0006
Brugia malayi Glutamate receptor 1 precursor 0.056 0.3205 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Brugia malayi hypothetical protein 0.023 0.1252 0.3906
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0456 0.0456
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0132 0.0132
Entamoeba histolytica hypothetical protein 0.0035 0.0096 0.1287
Brugia malayi Cytochrome P450 family protein 0.0025 0.004 0.0123
Echinococcus multilocularis protein dispatched 1 0.0047 0.0167 0.0167
Echinococcus multilocularis nmda type glutamate receptor 0.0974 0.5659 0.5659
Schistosoma mansoni survival motor neuron protein 0.0047 0.0167 0.041
Loa Loa (eye worm) hypothetical protein 0.0041 0.0132 0.0413
Chlamydia trachomatis glutamine binding protein 0.0691 0.3985 0.5
Echinococcus multilocularis glutamate receptor 2 0.0422 0.2388 0.2388
Echinococcus granulosus expressed conserved protein 0.009 0.0422 0.0422
Schistosoma mansoni patched 1 0.0041 0.0132 0.0326
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0002 0.5
Schistosoma mansoni hypothetical protein 0.0283 0.1563 0.3847
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0025 0.0064
Loa Loa (eye worm) glutamate receptor 2 0.056 0.3205 1
Entamoeba histolytica hypothetical protein 0.0035 0.0096 0.1287
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0691 0.3985 1
Echinococcus granulosus tyrosine kinase 0.0145 0.0747 0.0747
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0079
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.1252 0.1252
Onchocerca volvulus 0.0023 0.0025 0.0309
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0002 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0705 0.4063 0.4063
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.0569 0.0569
Schistosoma mansoni polycystin 1-related 0.0019 0.0002 0.0006
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0096 0.0237
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0691 0.3985 0.5
Schistosoma mansoni rab6-interacting 0.0019 0.0002 0.0006
Brugia malayi Receptor family ligand binding region containing protein 0.0145 0.0747 0.2332
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0145 0.0747 0.0747
Echinococcus multilocularis tyrosine kinase 0.0145 0.0747 0.0747
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0705 0.4063 0.4063
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0691 0.3985 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0974 0.5659 0.5659
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0145 0.0747 0.2332
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0025 0.034
Brugia malayi Receptor family ligand binding region containing protein 0.0145 0.0747 0.2332
Echinococcus granulosus survival motor neuron protein 1 0.023 0.1252 0.1252
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0025 0.0064
Schistosoma mansoni tyrosine kinase 0.0145 0.0747 0.1839
Echinococcus multilocularis protein patched 0.0041 0.0132 0.0132
Schistosoma mansoni glutamate receptor kainate 0.056 0.3205 0.7887
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0456 0.0456
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0096 0.0096
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0705 0.4063 0.4063
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0025 0.0064
Onchocerca volvulus 0.0145 0.0747 1
Echinococcus multilocularis NMDA receptor 0.0283 0.1563 0.1563
Loa Loa (eye worm) RGC/RGC protein kinase 0.0145 0.0747 0.2332
Brugia malayi Doublecortin family protein 0.0019 0.0002 0.0008
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0705 0.4063 0.4063
Entamoeba histolytica hypothetical protein 0.0145 0.0747 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0025 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.056 0.3205 0.3205
Schistosoma mansoni glutamate receptor AMPA 0.056 0.3205 0.7887
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0132 1
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0283 0.1563 0.1563
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0705 0.4063 0.4063
Brugia malayi hypothetical protein 0.0145 0.0747 0.2332
Schistosoma mansoni glutamate receptor kainate 0.056 0.3205 0.7887
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0079
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0025 0.0064
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.023 0.1252 0.3906
Schistosoma mansoni hypothetical protein 0.0019 0.0002 0.0006
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0025 0.0064
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0145 0.0747 0.2332
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0145 0.0747 0.0747
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.07 0.07
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0283 0.1563 0.1563
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Brugia malayi Metabotropic glutamate receptor precursor. 0.0145 0.0747 0.2332
Echinococcus multilocularis nmda type glutamate receptor 0.0145 0.0747 0.0747
Echinococcus granulosus glutamate receptor subunit protein glur 0.0283 0.1563 0.1563
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.4562 0.4562
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0283 0.1563 0.1563
Echinococcus granulosus glutamate receptor 2 0.0705 0.4063 0.4063
Schistosoma mansoni tyrosine kinase 0.0145 0.0747 0.1839
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0283 0.1563 0.1563
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.0079
Schistosoma mansoni hypothetical protein 0.004 0.0123 0.0304
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Echinococcus granulosus nmda type glutamate receptor 0.0145 0.0747 0.0747
Echinococcus multilocularis glutamate receptor 2 0.056 0.3205 0.3205
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0025 0.034
Trypanosoma cruzi extracellular receptor, putative 0.0145 0.0747 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0465 0.1144
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0002 0.0002
Echinococcus granulosus metabotropic glutamate receptor 2 0.0145 0.0747 0.0747
Schistosoma mansoni rab6-interacting 0.0019 0.0002 0.0006
Brugia malayi CHE-14 protein 0.0041 0.0132 0.0413
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0456 0.6106
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0025 0.034
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0096 0.0096
Schistosoma mansoni lipoxygenase 0.0115 0.0569 0.1399
Loa Loa (eye worm) glutamate receptor 0.0145 0.0747 0.2332
Onchocerca volvulus 0.0047 0.0167 0.2207
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.0079
Loa Loa (eye worm) hypothetical protein 0.0145 0.0747 0.2332
Echinococcus multilocularis RUN 0.0019 0.0002 0.0002
Brugia malayi Guanylyl cyclase protein 23 0.0145 0.0747 0.2332

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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