Detailed information for compound 990391

Basic information

Technical information
  • TDR Targets ID: 990391
  • Name: 3-(3,4-dichlorophenyl)-N-[4-[3-(3,4-dichlorop henyl)prop-2-enoylamino]butyl]prop-2-enamide
  • MW: 486.218 | Formula: C22H20Cl4N2O2
  • H donors: 2 H acceptors: 2 LogP: 6.25 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCNC(=O)/C=C/c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C22H20Cl4N2O2/c23-17-7-3-15(13-19(17)25)5-9-21(29)27-11-1-2-12-28-22(30)10-6-16-4-8-18(24)20(26)14-16/h3-10,13-14H,1-2,11-12H2,(H,27,29)(H,28,30)/b9-5+,10-6+
  • InChiKey: ZMXCVSCGVWRDTJ-NXZHAISVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-(3,4-dichlorophenyl)-N-[4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
  • 3-(3,4-dichlorophenyl)-N-[4-[[3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]butyl]prop-2-enamide
  • (E)-3-(3,4-dichlorophenyl)-N-[4-[[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]butyl]prop-2-enamide
  • 3-(3,4-dichlorophenyl)-N-[4-[[3-(3,4-dichlorophenyl)acryloyl]amino]butyl]acrylamide
  • (E)-3-(3,4-dichlorophenyl)-N-[4-[[(E)-3-(3,4-dichlorophenyl)acryloyl]amino]butyl]acrylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphorylase, glycogen, liver Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Giardia lamblia Glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Chlamydia trachomatis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Neospora caninum hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Onchocerca volvulus Glycogen phosphorylase homolog Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium parvum glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus Glycosyl transferase family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis Glycosyl transferase, family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum Glycogen phosphorylase, brain form, putative Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium hominis glycogen phosphorylase 1 Get druggable targets OG5_126999 All targets in OG5_126999
Loa Loa (eye worm) glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Brugia malayi carbohydrate phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
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 latrophilin 2 splice variant baaae 0.0033 0.0819 0.0768
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.066 0.066
Echinococcus granulosus vesicular acetylcholine transporter 0.0261 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0261 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.4742 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1433 0.1385
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.137 0.137
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0396 0.0293
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0001
Loa Loa (eye worm) hypothetical protein 0.0047 0.137 0.137
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0056 0.0056
Brugia malayi carbohydrate phosphorylase 0.013 0.4742 0.4713
Schistosoma mansoni bromodomain containing protein 0.0063 0.2025 0.194
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1433 0.1385
Loa Loa (eye worm) hypothetical protein 0.0038 0.1029 0.1029
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0906 0.0906
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0319 0.0319
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.4137 0.4137
Onchocerca volvulus 0.003 0.0688 0.0154
Trypanosoma brucei ISWI complex protein 0.0015 0.0106 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.007 0.2323 0.2323
Echinococcus multilocularis lamin 0.0026 0.0543 0.0543
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.066 0.056
Plasmodium falciparum phd finger protein, putative 0.0029 0.066 0.5
Echinococcus granulosus lamin dm0 0.0026 0.0543 0.0543
Echinococcus multilocularis glycogen phosphorylase 0.013 0.4742 0.4742
Brugia malayi intermediate filament protein 0.0026 0.0543 0.049
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0819 0.0819
Plasmodium vivax SET domain protein, putative 0.003 0.0688 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0106 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.782 0.782
Echinococcus granulosus glycogen phosphorylase 0.013 0.4742 0.4742
Schistosoma mansoni hypothetical protein 0.0029 0.066 0.056
Echinococcus multilocularis GPCR, family 2 0.0015 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0042 0.12 0.12
Brugia malayi jmjC domain containing protein 0.0095 0.3314 0.3276
Echinococcus multilocularis zinc finger protein 0.0019 0.0277 0.0277
Echinococcus granulosus jumonji domain containing protein 0.004 0.1117 0.1117
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0931 0.0931
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0107 0.0052
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0543 0.049
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.3314 0.3314
Giardia lamblia Glycogen phosphorylase 0.013 0.4742 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1433 0.1433
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0176 0.0071
Brugia malayi PHD-finger family protein 0.0025 0.049 0.0437
Brugia malayi Bromodomain containing protein 0.0031 0.0755 0.0703
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1902 0.1902
Echinococcus granulosus lamin 0.0026 0.0543 0.0543
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0029 0.066 0.066
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0688 0.0688
Echinococcus granulosus zinc finger protein 0.0019 0.0277 0.0277
Brugia malayi Pre-SET motif family protein 0.003 0.0688 0.0636
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0107 0.0052
Echinococcus multilocularis peregrin 0.0031 0.0755 0.0755
Schistosoma mansoni hypothetical protein 0.0021 0.0319 0.0216
Loa Loa (eye worm) hypothetical protein 0.0015 0.0107 0.0107
Chlamydia trachomatis glycogen phosphorylase 0.013 0.4742 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0201 0.0201
Echinococcus granulosus peregrin 0.0031 0.0755 0.0755
Schistosoma mansoni lamin 0.0026 0.0543 0.0441
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0176 0.0176
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0001
Schistosoma mansoni zinc finger protein 0.0019 0.0277 0.0173
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.137 0.1278
Loa Loa (eye worm) hypothetical protein 0.0026 0.0543 0.0543
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0982 0.0885
Schistosoma mansoni intermediate filament proteins 0.0026 0.0543 0.0441
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0176 0.0071
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0001
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0107 0.0107
Schistosoma mansoni glycogen phosphorylase 0.013 0.4742 0.4686
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0688 0.0588
Brugia malayi Bromodomain containing protein 0.0075 0.2494 0.2452
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0107 0.0107
Echinococcus granulosus Glycosyl transferase family 35 0.013 0.4742 0.4742
Echinococcus granulosus glycogen phosphorylase 0.013 0.4742 0.4742
Schistosoma mansoni glycogen phosphorylase 0.0056 0.1763 0.1675
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0543 0.0543
Echinococcus multilocularis glycogen phosphorylase 0.013 0.4742 0.4742
Leishmania major hypothetical protein, conserved 0.0015 0.0106 0.5
Onchocerca volvulus Alhambra homolog 0.0029 0.066 0.0124
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0688 0.0588
Echinococcus multilocularis musashi 0.0026 0.0543 0.0543
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0982 0.0885
Echinococcus granulosus GPCR family 2 0.0015 0.0107 0.0107
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0688 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0261 1 1
Brugia malayi MH2 domain containing protein 0.0115 0.4137 0.4104
Echinococcus multilocularis vesicular acetylcholine transporter 0.0261 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.066 0.066
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0176 0.0176
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.1882 0.1882
Schistosoma mansoni hypothetical protein 0.0033 0.0819 0.0721
Echinococcus multilocularis lamin dm0 0.0026 0.0543 0.0543
Schistosoma mansoni jumonji domain containing protein 0.0075 0.2529 0.2449
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0107 0.0107
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.137 0.1278
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0026 0.0523 0.0523
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.137 0.137
Trichomonas vaginalis set domain proteins, putative 0.0235 0.897 1
Brugia malayi Pre-SET motif family protein 0.0207 0.782 0.7807
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.3314 0.3314
Brugia malayi PHD-finger family protein 0.0029 0.066 0.0608
Trypanosoma cruzi ISWI complex protein 0.0015 0.0106 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0001
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0982 0.0982
Brugia malayi Bromodomain containing protein 0.0038 0.1026 0.0976
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0982 0.0982
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.4742 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.066 0.066
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0107 0.0107
Echinococcus multilocularis jumonji domain containing protein 0.004 0.1117 0.1117
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.1882 0.1882
Loa Loa (eye worm) hypothetical protein 0.004 0.1124 0.1124
Schistosoma mansoni lamin 0.0026 0.0543 0.0441
Onchocerca volvulus 0.0235 0.897 0.8911
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.005 0.1493 0.1493
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1433 0.1433
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0056 0.1763 0.5
Brugia malayi jmjC domain containing protein 0.0037 0.0982 0.0931
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0056 0.1763 0.5
Echinococcus granulosus intermediate filament protein 0.0026 0.0543 0.0543
Schistosoma mansoni glycogen phosphorylase 0.013 0.4742 0.4686
Loa Loa (eye worm) glycogen phosphorylase 0.013 0.4742 0.4742
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0543 0.0543
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.4137 0.4137
Onchocerca volvulus Glycogen phosphorylase homolog 0.013 0.4742 0.4441
Echinococcus multilocularis Glycosyl transferase, family 35 0.013 0.4742 0.4742
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0931 0.0931

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.043 uM Inhibition of human liver glycogen phosphorylase a in presence of glucose ChEMBL. 18723356
IC50 (binding) = 0.42 uM Inhibition of human liver glycogen phosphorylase a in absence of glucose ChEMBL. 18723356

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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