Detailed information for compound 1297202

Basic information

Technical information
  • TDR Targets ID: 1297202
  • Name: (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl )methyl]prop-2-enamide
  • MW: 320.213 | Formula: C17H15Cl2NO
  • H donors: 1 H acceptors: 1 LogP: 4.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccc(cc1)C
  • InChi: 1S/C17H15Cl2NO/c1-12-5-7-13(8-6-12)11-20-17(21)10-9-14-15(18)3-2-4-16(14)19/h2-10H,11H2,1H3,(H,20,21)/b10-9+
  • InChiKey: ZKQCVUOQTNROCU-MDZDMXLPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
  • (E)-3-(2,6-dichlorophenyl)-N-(4-methylbenzyl)acrylamide
  • 3-(2,6-dichlorophenyl)-N-(4-methylbenzyl)acrylamide
  • SMR000197883
  • IVK/8066877
  • AK-968/12118759
  • ZINC00476757
  • MLS000576244

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.0568 0.2864
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0116 0.0844 0.4361
Brugia malayi Inositol-1 0.0037 0.0039 0.001
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0116 0.0844 0.2074
Loa Loa (eye worm) MH2 domain-containing protein 0.0069 0.0368 0.033
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0193 0.1626 0.2649
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0098 0.0659 0.1452
Loa Loa (eye worm) RNA binding protein 0.0136 0.1046 0.101
Trypanosoma cruzi PAB1-binding protein , putative 0.0218 0.1884 1
Brugia malayi MH1 domain containing protein 0.0038 0.0053 0.0024
Echinococcus granulosus geminin 0.0194 0.1637 0.3707
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0626 0.603 0.5
Schistosoma mansoni hypothetical protein 0.0256 0.2266 0.4255
Brugia malayi Smad1 0.0069 0.0368 0.0339
Brugia malayi Isocitrate dehydrogenase 0.0116 0.0844 0.0816
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0098 0.0659 0.0694
Schistosoma mansoni hypothetical protein 0.0256 0.2266 0.4255
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.1046 0.101
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0116 0.0844 0.2098
Echinococcus multilocularis GPCR, family 2 0.0256 0.2266 0.2464
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0069 0.0368 0.0373
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0808 0.789 0.7883
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.0844 0.4361
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.0844 0.0897
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0256 0.2266 0.5157
Leishmania major hypothetical protein, conserved 0.0218 0.1884 1
Loa Loa (eye worm) hypothetical protein 0.0808 0.789 0.7881
Echinococcus granulosus GPCR family 2 0.0256 0.2266 0.5157
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0626 0.603 1
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.1626 0.8604
Loa Loa (eye worm) nuclear factor I 0.0038 0.0053 0.0014
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0626 0.603 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0089 0.0568 1
Echinococcus multilocularis Smad4 0.0069 0.0368 0.0373
Schistosoma mansoni hypothetical protein 0.0194 0.1637 0.3058
Leishmania major hypothetical protein, conserved 0.0193 0.1626 0.8604
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.0256 0.063
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0626 0.603 0.6018
Plasmodium vivax ataxin-2 like protein, putative 0.0218 0.1884 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0568 0.053
Schistosoma mansoni Smad4 0.0069 0.0368 0.0643
Brugia malayi MH1 domain containing protein 0.0069 0.0368 0.0339
Brugia malayi Probable ClpP-like protease 0.0089 0.0568 0.0539
Echinococcus granulosus mothers against decapentaplegic 5 0.0069 0.0368 0.078
Brugia malayi MH2 domain containing protein 0.0069 0.0368 0.0339
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.1626 0.8604
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0116 0.0844 0.4361
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.0568 0.0882
Schistosoma mansoni smad 0.0069 0.0368 0.0643
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0256 0.2266 0.2464
Echinococcus multilocularis geminin 0.0194 0.1637 0.1771
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0626 0.603 1
Schistosoma mansoni tar DNA-binding protein 0.0136 0.1046 0.1933
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0116 0.0844 0.2098
Schistosoma mansoni tar DNA-binding protein 0.0136 0.1046 0.1933
Echinococcus multilocularis mothers against decapentaplegic 5 0.0069 0.0368 0.0373
Schistosoma mansoni tar DNA-binding protein 0.0136 0.1046 0.1933
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0089 0.0568 0.0592
Schistosoma mansoni hypothetical protein 0.0256 0.2266 0.4255
Schistosoma mansoni tar DNA-binding protein 0.0136 0.1046 0.1933
Echinococcus multilocularis neuropeptide s receptor 0.0462 0.4367 0.4777
Echinococcus granulosus smad 0.0069 0.0368 0.078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0808 0.789 0.7881
Loa Loa (eye worm) isocitrate dehydrogenase 0.0116 0.0844 0.0807
Plasmodium falciparum ataxin-2 like protein, putative 0.0218 0.1884 1
Toxoplasma gondii isocitrate dehydrogenase 0.0116 0.0844 0.4361
Loa Loa (eye worm) hypothetical protein 0.0218 0.1884 0.1852
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0626 0.603 1
Toxoplasma gondii isocitrate dehydrogenase 0.0116 0.0844 0.4361
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.0844 0.0897
Brugia malayi MH2 domain containing protein 0.0069 0.0368 0.0339
Brugia malayi hypothetical protein 0.0218 0.1884 0.186
Schistosoma mansoni smad1 5 8 and 0.0069 0.0368 0.0643
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0626 0.603 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0039 0.0011
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0116 0.0844 0.0897
Schistosoma mansoni hypothetical protein 0.0194 0.1637 0.3058
Echinococcus multilocularis isocitrate dehydrogenase 0.0116 0.0844 0.0897
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0626 0.603 1
Onchocerca volvulus 0.0626 0.603 1
Toxoplasma gondii LsmAD domain-containing protein 0.0218 0.1884 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.0844 0.4361
Brugia malayi MH1 domain containing protein 0.0038 0.0053 0.0024
Schistosoma mansoni hypothetical protein 0.0256 0.2266 0.4255
Schistosoma mansoni hypothetical protein 0.0098 0.0659 0.1198
Plasmodium falciparum ataxin-2 like protein, putative 0.0218 0.1884 1
Brugia malayi isocitrate dehydrogenase 0.0116 0.0844 0.0816
Loa Loa (eye worm) latrophilin receptor protein 2 0.0256 0.2266 0.2236
Schistosoma mansoni inositol monophosphatase 0.0037 0.0039 0.0019
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.1046 0.1019
Schistosoma mansoni smad1 5 8 and 0.0069 0.0368 0.0643
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.0844 0.4361
Loa Loa (eye worm) Smad1 0.0069 0.0368 0.033
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0256 0.2266 0.2464
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0039 0.0016
Loa Loa (eye worm) hypothetical protein 0.0553 0.5287 0.5268
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.0568 0.2864
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0116 0.0844 0.1877
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0626 0.603 0.6014
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.0568 0.5
Brugia malayi RNA binding protein 0.0136 0.1046 0.1019
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0433 0.4068 1
Brugia malayi Latrophilin receptor protein 2 0.0256 0.2266 0.2243
Loa Loa (eye worm) hypothetical protein 0.0038 0.0053 0.0014
Echinococcus granulosus tar DNA binding protein 0.0136 0.1046 0.2343
Brugia malayi N-terminal motif family protein 0.0381 0.3537 0.3518
Brugia malayi TAR-binding protein 0.0136 0.1046 0.1019
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.0256 0.0522
Brugia malayi hypothetical protein 0.0141 0.1097 0.107
Brugia malayi latrophilin 2 splice variant baaae 0.0553 0.5287 0.5273
Schistosoma mansoni inositol monophosphatase 0.0037 0.0039 0.0019
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0116 0.0844 0.1548
Echinococcus multilocularis tar DNA binding protein 0.0136 0.1046 0.1119
Schistosoma mansoni hypothetical protein 0.0553 0.5287 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0089 0.0568 0.1023
Echinococcus granulosus TGF beta signal transducer SmadC 0.0069 0.0368 0.078
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0193 0.1626 0.2649
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.0568 0.0882
Echinococcus granulosus neuropeptide receptor A26 0.0462 0.4367 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.0256 0.0249
Echinococcus multilocularis neuropeptide receptor A26 0.0462 0.4367 0.4777
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.0568 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0089 0.0568 0.5
Schistosoma mansoni tar DNA-binding protein 0.0136 0.1046 0.1933
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.0844 0.0897
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0626 0.603 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0256 0.2266 0.2243
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.0256 0.4513
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0256 0.2266 0.5157
Loa Loa (eye worm) hypothetical protein 0.0381 0.3537 0.3511
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0069 0.0368 0.0643
Brugia malayi MH1 domain containing protein 0.0069 0.0368 0.0339
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0626 0.603 1
Echinococcus multilocularis smad 0.0069 0.0368 0.0373
Echinococcus granulosus Smad4 0.0069 0.0368 0.078
Loa Loa (eye worm) TAR-binding protein 0.0136 0.1046 0.101
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0928 0.9109 1
Trypanosoma brucei PAB1-binding protein , putative 0.0218 0.1884 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0808 0.789 0.7883
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0626 0.603 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0218 0.1884 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0069 0.0368 0.033
Echinococcus granulosus neuropeptide s receptor 0.0462 0.4367 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0089 0.0568 0.124
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0089 0.0568 1
Loa Loa (eye worm) hypothetical protein 0.0256 0.2266 0.2236
Schistosoma mansoni smad1 5 8 and 0.0069 0.0368 0.0643
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.0256 0.063
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0039 0.0022
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0193 0.1626 0.8604

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.