Detailed information for compound 346577

Basic information

Technical information
  • TDR Targets ID: 346577
  • Name: (E)-2-cyano-N-[5-[[(E)-2-cyano-3-(3,4,5-trihy droxyphenyl)prop-2-enoyl]amino]pentyl]-3-(3,4 ,5-trihydroxyphenyl)prop-2-enamide
  • MW: 508.48 | Formula: C25H24N4O8
  • H donors: 8 H acceptors: 10 LogP: 1.82 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 3
  • SMILES: N#C/C(=C\c1cc(O)c(c(c1)O)O)/C(=O)NCCCCCNC(=O)/C(=C/c1cc(O)c(c(c1)O)O)/C#N
  • InChi: 1S/C25H24N4O8/c26-12-16(6-14-8-18(30)22(34)19(31)9-14)24(36)28-4-2-1-3-5-29-25(37)17(13-27)7-15-10-20(32)23(35)21(33)11-15/h6-11,30-35H,1-5H2,(H,28,36)(H,29,37)/b16-6+,17-7+
  • InChiKey: JQUXJGYSUIMLTN-KGMKFKQSSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-2-cyano-N-[5-[[(E)-2-cyano-1-oxo-3-(3,4,5-trihydroxyphenyl)allyl]amino]pentyl]-3-(3,4,5-trihydroxyphenyl)-2-propenamide
  • (E)-2-cyano-N-[5-[[(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)acryloyl]amino]pentyl]-3-(3,4,5-trihydroxyphenyl)acrylamide
  • 2-cyano-N-[5-[[2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]pentyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
  • 2-cyano-N-[5-[[2-cyano-1-oxo-3-(3,4,5-trihydroxyphenyl)prop-2-enyl]amino]pentyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
  • (E)-2-cyano-N-[5-[[(E)-2-cyano-1-oxo-3-(3,4,5-trihydroxyphenyl)prop-2-enyl]amino]pentyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
  • 2-cyano-N-[5-[[2-cyano-3-(3,4,5-trihydroxyphenyl)acryloyl]amino]pentyl]-3-(3,4,5-trihydroxyphenyl)acrylamide
  • NSC677219
  • 2-Cyano-N-{5-[2-cyano-3-(3,4,5-trihydroxyphenyl)allanoylamino]pentyl}-3-(3,4,5-trihydroxyphenyl)acrylamide
  • AIDS-080793
  • AIDS080793

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dynamin 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans dynamin-related protein Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus granulosus dynamin 1 protein Get druggable targets OG5_126660 All targets in OG5_126660
Trypanosoma brucei dynamin-1-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium yoelii dynamin-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Toxoplasma gondii dynamin-related protein DRPB Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Entamoeba histolytica dynamin-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum Dynamin-1, putative Get druggable targets OG5_126660 All targets in OG5_126660
Leishmania donovani dynamin-1-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Cryptosporidium parvum dynamin-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum expressed protein Get druggable targets OG5_126660 All targets in OG5_126660
Trypanosoma brucei gambiense dynamin, putative,vacuolar sortin protein 1, putative Get druggable targets OG5_126660 All targets in OG5_126660
Babesia bovis dynamin central region family protein Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium vivax dynamin-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Loa Loa (eye worm) DRP-1 protein Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum Dynamin-2, putative Get druggable targets OG5_126660 All targets in OG5_126660
Giardia lamblia Dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Theileria parva dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trypanosoma brucei dynamin-1-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium yoelii dynamin like protein-related Get druggable targets OG5_126660 All targets in OG5_126660
Neospora caninum dynamin-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum Dynamin-1-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Toxoplasma gondii dynamin gtpase Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium berghei dynamin-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trypanosoma brucei gambiense dynamin, putative,vacuolar sortin protein 1, putative Get druggable targets OG5_126660 All targets in OG5_126660
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus granulosus dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Cryptosporidium parvum dynamin-related protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium falciparum dynamin-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Brugia malayi Dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis mgm1, putative Get druggable targets OG5_126660 All targets in OG5_126660
Babesia bovis dynamin-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Candida albicans GTP-binding protein/GTPase Get druggable targets OG5_126660 All targets in OG5_126660
Toxoplasma gondii dynamin-related protein DRPA Get druggable targets OG5_126660 All targets in OG5_126660
Cryptosporidium hominis dynactin 4 (p62) Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus granulosus dynamin 1 Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma mansoni dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Neospora caninum Strain CBS138 chromosome D complete sequence, related Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus multilocularis dynamin 1 Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum Dynamin-1, putative Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium knowlesi dynamin-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Brugia malayi Dynamin central region family protein Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium vivax dynamin protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium berghei dynamin-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trichomonas vaginalis dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Trypanosoma congolense dynamin-1-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum ko:K01528 dynamin GTPase [EC3.6.5.5], putative Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium knowlesi dynamin-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Brugia malayi Dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium yoelii dynamin-like protein-related Get druggable targets OG5_126660 All targets in OG5_126660
Entamoeba histolytica dynamin-1-like protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum Dynamin-1, putative Get druggable targets OG5_126660 All targets in OG5_126660
Cryptosporidium hominis dynamin-related protein Get druggable targets OG5_126660 All targets in OG5_126660
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus multilocularis dynamin 1 protein Get druggable targets OG5_126660 All targets in OG5_126660
Candida albicans GTP-binding protein/GTPase Get druggable targets OG5_126660 All targets in OG5_126660
Leishmania major GTP-binding protein, putative Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma mansoni dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus multilocularis dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma mansoni dynamin Get druggable targets OG5_126660 All targets in OG5_126660
Plasmodium falciparum dynamin-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma japonicum ko:K01528 dynamin GTPase [EC3.6.5.5], putative Get druggable targets OG5_126660 All targets in OG5_126660
Trypanosoma cruzi dynamin-1-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Theileria parva hypothetical protein Get druggable targets OG5_126660 All targets in OG5_126660

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
Loa Loa (eye worm) hypothetical protein 0.0033 0.092 0.0286
Trypanosoma brucei dynamin-1-like protein 0.0026 0.0653 0.5
Trichomonas vaginalis dynamin, putative 0.0026 0.0653 0.5
Trypanosoma brucei dynamin-1-like protein 0.0026 0.0653 0.5
Loa Loa (eye worm) hypothetical protein 0.0243 0.8554 0.8453
Trichomonas vaginalis dynamin, putative 0.0026 0.0653 0.5
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0026 0.0653 0.5
Echinococcus granulosus dynamin 1 0.0028 0.0725 0.0699
Trichomonas vaginalis dynamin, putative 0.0026 0.0653 0.5
Echinococcus granulosus MAM 0.0033 0.092 0.0895
Echinococcus granulosus dynamin 1 protein 0.0026 0.0653 0.0627
Echinococcus multilocularis dynamin 0.0026 0.0653 0.0627
Loa Loa (eye worm) hypothetical protein 0.0033 0.092 0.0286
Loa Loa (eye worm) hypothetical protein 0.0028 0.0725 0.0077
Plasmodium vivax dynamin protein, putative 0.0026 0.0653 0.5
Schistosoma mansoni dynamin 0.0028 0.0725 0.7813
Plasmodium falciparum dynamin-like protein 0.0026 0.0653 0.5
Trichomonas vaginalis dynamin, putative 0.0026 0.0653 0.5
Echinococcus multilocularis tyrosine protein kinase 0.0283 1 1
Toxoplasma gondii dynamin-related protein DRPB 0.0026 0.0653 1
Trichomonas vaginalis mgm1, putative 0.0026 0.0653 0.5
Brugia malayi Dynamin 0.0028 0.0725 0.0077
Echinococcus multilocularis dynamin 1 protein 0.0026 0.0653 0.0627
Echinococcus granulosus dynamin 0.0026 0.0653 0.0627
Brugia malayi Dynamin 0.0028 0.0725 0.0077
Entamoeba histolytica dynamin-like protein 0.0026 0.0653 1
Leishmania major GTP-binding protein, putative 0.0026 0.0653 0.5
Trichomonas vaginalis dynamin, putative 0.0026 0.0653 0.5
Plasmodium vivax dynamin-like protein, putative 0.0026 0.0653 0.5
Echinococcus granulosus tyrosine protein kinase 0.0283 1 1
Entamoeba histolytica dynamin-1-like protein, putative 0.0026 0.0653 1
Brugia malayi Protein kinase domain containing protein 0.0279 0.9865 0.9856
Trypanosoma cruzi dynamin-1-like protein 0.0026 0.0653 0.5
Schistosoma mansoni dynamin 0.0028 0.0725 0.7813
Toxoplasma gondii dynamin-related protein DRPA 0.0026 0.0653 1
Giardia lamblia Dynamin 0.0026 0.0653 0.5
Trichomonas vaginalis dynamin, putative 0.0026 0.0653 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.092 1
Echinococcus multilocularis dynamin 1 0.0028 0.0725 0.0699
Loa Loa (eye worm) hypothetical protein 0.0033 0.092 0.0286
Brugia malayi hypothetical protein 0.0033 0.092 0.0286
Schistosoma mansoni hypothetical protein 0.0033 0.092 1
Plasmodium falciparum dynamin-like protein 0.0026 0.0653 0.5
Schistosoma mansoni dynamin 0.0026 0.0653 0.7007
Echinococcus multilocularis MAM 0.0033 0.092 0.0895
Loa Loa (eye worm) TK/ALK protein kinase 0.0279 0.9862 0.9852
Loa Loa (eye worm) hypothetical protein 0.028 0.9895 0.9887
Loa Loa (eye worm) TK protein kinase 0.0283 1 1
Onchocerca volvulus 0.0039 0.1124 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.7 uM Inhibitory activity against dynamin1 GTPase expressed in sheep brain ChEMBL. 16302817
IC50 (binding) = 1.7 uM Inhibitory activity against dynamin1 GTPase expressed in sheep brain ChEMBL. 16302817

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.

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