Detailed information for compound 343910

Basic information

Technical information
  • TDR Targets ID: 343910
  • Name: (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydro xyphenyl)prop-2-enoyl]amino]-2-hydroxypropyl] -3-(3,4-dihydroxyphenyl)prop-2-enamide
  • MW: 464.428 | Formula: C23H20N4O7
  • H donors: 7 H acceptors: 9 LogP: 0.84 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#C/C(=C\c1ccc(c(c1)O)O)/C(=O)NCC(CNC(=O)/C(=C/c1ccc(c(c1)O)O)/C#N)O
  • InChi: 1S/C23H20N4O7/c24-9-15(5-13-1-3-18(29)20(31)7-13)22(33)26-11-17(28)12-27-23(34)16(10-25)6-14-2-4-19(30)21(32)8-14/h1-8,17,28-32H,11-12H2,(H,26,33)(H,27,34)/b15-5+,16-6+
  • InChiKey: GVQCWBDXMLATSX-IAGONARPSA-N  

Network

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Synonyms

  • (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-2-hydroxy-propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
  • (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoallyl]amino]-2-hydroxypropyl]-3-(3,4-dihydroxyphenyl)-2-propenamide
  • (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)acryloyl]amino]-2-hydroxy-propyl]-3-(3,4-dihydroxyphenyl)acrylamide
  • (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]-2-hydroxypropyl]-3-(3,4-dihydroxyphenyl)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
Plasmodium vivax dynamin 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
Echinococcus granulosus dynamin 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
Trichomonas vaginalis dynamin, 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
Schistosoma japonicum Dynamin-2, 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
Entamoeba histolytica dynamin-1-like protein, putative 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
Babesia bovis dynamin central region family protein 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
Toxoplasma gondii dynamin-related protein DRPA 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
Babesia bovis 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
Loa Loa (eye worm) DRP-1 protein 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
Schistosoma mansoni 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
Plasmodium yoelii dynamin like protein-related 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
Giardia lamblia Dynamin 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
Trichomonas vaginalis interferon-induced GTP-binding protein mx, 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
Toxoplasma gondii dynamin gtpase Get druggable targets OG5_126660 All targets in OG5_126660
Theileria parva dynamin, 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
Cryptosporidium parvum dynamin-like protein 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
Neospora caninum dynamin-like protein, 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
Echinococcus multilocularis dynamin 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
Trypanosoma brucei gambiense dynamin, putative,vacuolar sortin protein 1, putative 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
Plasmodium falciparum 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
Trypanosoma brucei 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
Schistosoma japonicum expressed protein 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
Schistosoma japonicum Dynamin-1-like protein, 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
Trypanosoma congolense dynamin-1-like 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
Trichomonas vaginalis dynamin, 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
Candida albicans GTP-binding protein/GTPase 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
Leishmania donovani dynamin-1-like 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
Schistosoma mansoni dynamin 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
Plasmodium berghei dynamin-like protein, putative 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
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
Schistosoma japonicum Dynamin-1, 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
Trypanosoma brucei dynamin-1-like protein 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
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
Trichomonas vaginalis dynamin, 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
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
Trichomonas vaginalis dynamin, putative 0.0026 0.0864 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.6906 0.8837
Loa Loa (eye worm) glutathione reductase 0.0051 0.254 1
Trichomonas vaginalis dynamin, putative 0.0026 0.0864 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0313 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0313 0.1234
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.254 1
Schistosoma mansoni dynamin 0.0028 0.0997 0.0706
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1725 0.6341
Trypanosoma brucei dynamin-1-like protein 0.0026 0.0864 0.2471
Echinococcus granulosus dynamin 1 protein 0.0026 0.0864 0.2471
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0026 0.0864 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0313 0.0177
Schistosoma mansoni dynamin 0.0028 0.0997 0.0706
Trypanosoma brucei trypanothione reductase 0.0051 0.254 1
Entamoeba histolytica hypothetical protein 0.0039 0.1725 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0313 0.5
Treponema pallidum NADH oxidase 0.0018 0.0313 0.5
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0313 0.0177
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.7773 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.254 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0313 0.5
Trypanosoma brucei dynamin-1-like protein 0.0026 0.0864 0.2471
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.6906 0.8837
Brugia malayi Thioredoxin reductase 0.0051 0.254 1
Entamoeba histolytica hypothetical protein 0.0039 0.1725 1
Trichomonas vaginalis dynamin, putative 0.0026 0.0864 1
Plasmodium falciparum dynamin-like protein 0.0026 0.0864 0.2471
Echinococcus granulosus dynamin 1 0.0028 0.0997 0.307
Giardia lamblia Dynamin 0.0026 0.0864 1
Leishmania major trypanothione reductase 0.0051 0.254 1
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.254 1
Schistosoma mansoni dynamin 0.0026 0.0864 0.0568
Toxoplasma gondii dynamin-related protein DRPA 0.0026 0.0864 0.2605
Echinococcus multilocularis dynamin 0.0026 0.0864 0.2471
Mycobacterium tuberculosis Probable reductase 0.0116 0.6906 0.8837
Brugia malayi Dynamin 0.0028 0.0997 0.3925
Trichomonas vaginalis mgm1, putative 0.0026 0.0864 1
Plasmodium falciparum dynamin-like protein 0.0026 0.0864 0.2471
Brugia malayi hypothetical protein 0.0039 0.1725 0.6792
Trichomonas vaginalis dynamin, putative 0.0026 0.0864 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0997 0.0795
Toxoplasma gondii dynamin-related protein DRPB 0.0026 0.0864 0.2605
Plasmodium falciparum glutathione reductase 0.0051 0.254 1
Echinococcus multilocularis dynamin 1 protein 0.0026 0.0864 0.2471
Echinococcus multilocularis dynamin 1 0.0028 0.0997 0.307
Toxoplasma gondii thioredoxin reductase 0.0051 0.254 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.6906 0.8837
Plasmodium vivax dynamin protein, putative 0.0026 0.0864 0.2471
Leishmania major GTP-binding protein, putative 0.0026 0.0864 0.2471
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.7773 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.6906 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.7773 1
Plasmodium falciparum thioredoxin reductase 0.0051 0.254 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1725 0.6341
Echinococcus granulosus dynamin 0.0026 0.0864 0.2471
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1725 0.1458
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.7773 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0313 0.5
Plasmodium vivax dynamin-like protein, putative 0.0026 0.0864 0.2471
Entamoeba histolytica hypothetical protein 0.0039 0.1725 1
Brugia malayi Dynamin 0.0028 0.0997 0.3925
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.6906 0.8837
Trichomonas vaginalis dynamin, putative 0.0026 0.0864 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.254 0.2985
Trichomonas vaginalis dynamin, putative 0.0026 0.0864 1
Brugia malayi glutathione reductase 0.0051 0.254 1
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.254 1
Entamoeba histolytica hypothetical protein 0.0039 0.1725 1
Schistosoma mansoni hypothetical protein 0.0039 0.1725 0.1458
Plasmodium vivax glutathione reductase, putative 0.0051 0.254 1
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.254 1
Brugia malayi Dynamin central region family protein 0.0026 0.0864 0.34
Trypanosoma cruzi dynamin-1-like protein 0.0026 0.0864 0.2471

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.1 uM Inhibitory activity against dynamin1 GTPase expressed in sheep brain ChEMBL. 16302817
IC50 (binding) = 5.1 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.

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