Detailed information for compound 346435

Basic information

Technical information
  • TDR Targets ID: 346435
  • Name: (E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydro xy-5-methoxyphenyl)prop-2-enoyl]amino]butyl]- 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enami de
  • MW: 522.507 | Formula: C26H26N4O8
  • H donors: 6 H acceptors: 8 LogP: 2.12 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 3
  • SMILES: N#C/C(=C\c1cc(O)c(c(c1)OC)O)/C(=O)NCCCCNC(=O)/C(=C/c1cc(O)c(c(c1)OC)O)/C#N
  • InChi: 1S/C26H26N4O8/c1-37-21-11-15(9-19(31)23(21)33)7-17(13-27)25(35)29-5-3-4-6-30-26(36)18(14-28)8-16-10-20(32)24(34)22(12-16)38-2/h7-12,31-34H,3-6H2,1-2H3,(H,29,35)(H,30,36)/b17-7+,18-8+
  • InChiKey: ZWHCAXNVPCSJIE-ZEELXFFVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoyl]amino]butyl]-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enamide
  • (E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxy-5-methoxyphenyl)-1-oxoallyl]amino]butyl]-3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenamide
  • (E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxy-5-methoxy-phenyl)acryloyl]amino]butyl]-3-(3,4-dihydroxy-5-methoxy-phenyl)acrylamide
  • (E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]butyl]-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enamide

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
Giardia lamblia 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
Trichomonas vaginalis dynamin, 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
Entamoeba histolytica dynamin-1-like 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
Trichomonas vaginalis dynamin, putative 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
Candida albicans GTP-binding protein/GTPase 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
Trichomonas vaginalis mgm1, putative 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
Leishmania major GTP-binding protein, 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
Brugia malayi Dynamin 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
Entamoeba histolytica 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
Echinococcus multilocularis dynamin 1 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
Cryptosporidium hominis dynactin 4 (p62) 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
Schistosoma mansoni dynamin 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
Schistosoma japonicum Dynamin-1, putative Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus granulosus dynamin 1 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
Plasmodium falciparum dynamin-like protein 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
Trichomonas vaginalis dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma mansoni dynamin 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
Toxoplasma gondii dynamin-related protein DRPA 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
Babesia bovis dynamin central region family protein Get druggable targets OG5_126660 All targets in OG5_126660
Theileria parva dynamin, putative Get druggable targets OG5_126660 All targets in OG5_126660
Candida albicans dynamin-related 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
Trypanosoma brucei dynamin-1-like protein Get druggable targets OG5_126660 All targets in OG5_126660
Toxoplasma gondii dynamin gtpase Get druggable targets OG5_126660 All targets in OG5_126660
Schistosoma mansoni dynamin 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 congolense dynamin-1-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
Theileria parva hypothetical protein 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
Echinococcus multilocularis dynamin 1 Get druggable targets OG5_126660 All targets in OG5_126660
Brugia malayi Dynamin 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
Leishmania mexicana GTP-binding 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
Plasmodium yoelii dynamin-like 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
Brugia malayi Dynamin central region family protein 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
Loa Loa (eye worm) hypothetical protein 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
Babesia bovis dynamin-like protein 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
Schistosoma japonicum Dynamin-1, 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
Candida albicans GTP-binding protein/GTPase 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
Schistosoma japonicum Dynamin-2, 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
Trichomonas vaginalis dynamin, putative 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
Toxoplasma gondii dynamin-related protein DRPB 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
Cryptosporidium hominis dynamin-related protein Get druggable targets OG5_126660 All targets in OG5_126660
Echinococcus multilocularis dynamin 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
Brugia malayi Dynamin 0.0028 0.0236 0.0044
Toxoplasma gondii dynamin-related protein DRPB 0.0026 0.0193 0.2268
Toxoplasma gondii dynamin-related protein DRPA 0.0026 0.0193 0.2268
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) animal heme peroxidase 0.0473 1 1
Echinococcus multilocularis neural cadherin 0.0056 0.0849 0.0669
Echinococcus granulosus slit 2 protein 0.0056 0.0849 0.0669
Brugia malayi Muscle positioning protein 4 0.0056 0.0849 0.0669
Brugia malayi Calcium binding EGF domain containing protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Brugia malayi EGF-like domain containing protein 0.0056 0.0849 0.0669
Plasmodium falciparum dynamin-like protein 0.0026 0.0193 0.5
Onchocerca volvulus Dual oxidase homolog 0.0473 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0473 1 1
Trypanosoma brucei dynamin-1-like protein 0.0026 0.0193 0.5
Brugia malayi EGF-like domain containing protein 0.0056 0.0849 0.0669
Echinococcus multilocularis fibropellin Ia 0.0056 0.0849 0.0669
Trichomonas vaginalis dynamin, putative 0.0026 0.0193 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0056 0.0849 0.0669
Echinococcus multilocularis notch 0.0056 0.0849 0.0669
Echinococcus granulosus protein jagged 1 0.0056 0.0849 0.0669
Schistosoma mansoni notch 0.0056 0.0849 0.0669
Onchocerca volvulus Peroxidasin homolog 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0056 0.0849 0.0669
Brugia malayi Delta serrate ligand family protein 0.0056 0.0849 0.0669
Schistosoma mansoni septate junction protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus multilocularis neurogenic locus protein delta 0.0056 0.0849 0.0669
Schistosoma mansoni notch 0.0056 0.0849 0.0669
Echinococcus multilocularis neurogenic locus protein delta 0.0056 0.0849 0.0669
Schistosoma mansoni dynamin 0.0028 0.0236 0.0044
Echinococcus granulosus neurogenic locus notch protein 4 0.0056 0.0849 0.0669
Brugia malayi Animal haem peroxidase family protein 0.0473 1 1
Brugia malayi Dynamin 0.0028 0.0236 0.0044
Trichomonas vaginalis dynamin, putative 0.0026 0.0193 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus multilocularis dynamin 1 0.0028 0.0236 0.0044
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Onchocerca volvulus 0.0473 1 1
Brugia malayi Animal haem peroxidase family protein 0.0473 1 1
Plasmodium falciparum dynamin-like protein 0.0026 0.0193 0.5
Echinococcus granulosus neurogenic locus notch protein 0.0056 0.0849 0.0669
Brugia malayi GCC2 and GCC3 family protein 0.0056 0.0849 0.0669
Trypanosoma cruzi dynamin-1-like protein 0.0026 0.0193 0.5
Schistosoma mansoni cell polarity protein 0.0056 0.0849 0.0669
Brugia malayi EGF-like domain containing protein 0.0056 0.0849 0.0669
Giardia lamblia High cysteine protein 0.0056 0.0849 1
Schistosoma mansoni hypothetical protein 0.0056 0.0849 0.0669
Brugia malayi Peroxidasin 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Onchocerca volvulus Peroxidasin homolog 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus granulosus fibropellin Ia 0.0056 0.0849 0.0669
Schistosoma mansoni hypothetical protein 0.0056 0.0849 0.0669
Schistosoma mansoni hypothetical protein 0.0056 0.0849 0.0669
Echinococcus granulosus neurogenic locus notch protein 0.0056 0.0849 0.0669
Schistosoma mansoni hypothetical protein 0.0056 0.0849 0.0669
Trichomonas vaginalis dynamin, putative 0.0026 0.0193 0.5
Onchocerca volvulus Peroxidase homolog 0.0473 1 1
Schistosoma mansoni notch 0.0056 0.0849 0.0669
Trichomonas vaginalis dynamin, putative 0.0026 0.0193 0.5
Toxoplasma gondii EGF family domain-containing protein 0.0056 0.0849 1
Trichomonas vaginalis dynamin, putative 0.0026 0.0193 0.5
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Onchocerca volvulus Peroxidase homolog 0.0473 1 1
Schistosoma mansoni slit 0.0056 0.0849 0.0669
Echinococcus multilocularis neurogenic locus notch protein 0.0056 0.0849 0.0669
Echinococcus granulosus notch 0.0056 0.0849 0.0669
Echinococcus granulosus neural cadherin 0.0056 0.0849 0.0669
Brugia malayi Cadherin domain containing protein 0.0056 0.0849 0.0669
Schistosoma mansoni notch 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) animal heme peroxidase 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus granulosus protein jagged 1 0.0056 0.0849 0.0669
Echinococcus multilocularis neurogenic locus notch protein 4 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0028 0.0236 0.0044
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus granulosus protein jagged 2 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Onchocerca volvulus 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Schistosoma mansoni peroxidasin 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0056 0.0849 0.0669
Echinococcus granulosus delta-like protein 1 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus granulosus peroxidasin 0.0473 1 1
Schistosoma mansoni notch 0.0056 0.0849 0.0669
Entamoeba histolytica dynamin-1-like protein, putative 0.0026 0.0193 0.5
Brugia malayi EGF-like domain containing protein 0.0056 0.0849 0.0669
Leishmania major GTP-binding protein, putative 0.0026 0.0193 0.5
Brugia malayi Animal haem peroxidase family protein 0.0473 1 1
Schistosoma mansoni notch 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Plasmodium vivax dynamin-like protein, putative 0.0026 0.0193 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus granulosus dynamin 1 0.0028 0.0236 0.0044
Brugia malayi Blistered cuticle protein 3 0.0473 1 1
Trichomonas vaginalis mgm1, putative 0.0026 0.0193 0.5
Echinococcus multilocularis peroxidasin 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Brugia malayi notch-like transmembrane receptor 0.0056 0.0849 0.0669
Echinococcus multilocularis protein jagged 2 0.0056 0.0849 0.0669
Loa Loa (eye worm) animal heme peroxidase 0.0473 1 1
Schistosoma mansoni hypothetical protein 0.0056 0.0849 0.0669
Plasmodium vivax dynamin protein, putative 0.0026 0.0193 0.5
Brugia malayi Animal haem peroxidase family protein 0.0473 1 1
Loa Loa (eye worm) Notch2 0.0056 0.0849 0.0669
Echinococcus multilocularis slit 2 protein 0.0056 0.0849 0.0669
Brugia malayi EGF-like domain containing protein 0.0056 0.0849 0.0669
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0026 0.0193 0.5
Echinococcus granulosus neurogenic locus protein delta 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Schistosoma mansoni dynamin 0.0028 0.0236 0.0044
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Echinococcus granulosus protein jagged 2 0.0056 0.0849 0.0669
Schistosoma mansoni laminin gamma-3 chain 0.0056 0.0849 0.0669
Brugia malayi Animal haem peroxidase family protein 0.0473 1 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0056 0.0849 0.0669
Loa Loa (eye worm) blistered cuticle protein 3 0.0473 1 1
Trichomonas vaginalis dynamin, putative 0.0026 0.0193 0.5
Entamoeba histolytica dynamin-like protein 0.0026 0.0193 0.5
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Brugia malayi EGF-like domain containing protein 0.0056 0.0849 0.0669
Echinococcus multilocularis protein jagged 1 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Echinococcus multilocularis protein jagged 1 0.0056 0.0849 0.0669
Brugia malayi EGF-like domain containing protein 0.0056 0.0849 0.0669
Schistosoma mansoni peroxidasin 0.0473 1 1
Schistosoma mansoni hypothetical protein 0.0056 0.0849 0.0669
Onchocerca volvulus 0.0473 1 1
Brugia malayi Cadherin domain containing protein 0.0056 0.0849 0.0669
Schistosoma mansoni hypothetical protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669
Brugia malayi Calcium binding EGF domain containing protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) notch protein 0.0056 0.0849 0.0669
Trypanosoma brucei dynamin-1-like protein 0.0026 0.0193 0.5
Echinococcus multilocularis neurogenic locus notch protein 0.0056 0.0849 0.0669
Loa Loa (eye worm) hypothetical protein 0.0056 0.0849 0.0669

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 uM Inhibitory activity against dynamin1 GTPase expressed in sheep brain ChEMBL. 16302817
IC50 (binding) = 8 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.