Detailed information for compound 345916

Basic information

Technical information
  • TDR Targets ID: 345916
  • Name: (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chloro phenyl)-2-cyanoprop-2-enoyl]amino]hexyl]-2-cy anoprop-2-enamide
  • MW: 495.4 | Formula: C26H24Cl2N4O2
  • H donors: 2 H acceptors: 4 LogP: 5.56 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccccc1Cl)/C(=O)NCCCCCCNC(=O)/C(=C/c1ccccc1Cl)/C#N
  • InChi: 1S/C26H24Cl2N4O2/c27-23-11-5-3-9-19(23)15-21(17-29)25(33)31-13-7-1-2-8-14-32-26(34)22(18-30)16-20-10-4-6-12-24(20)28/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,31,33)(H,32,34)/b21-15+,22-16+
  • InChiKey: QDLLSAUPGXUKBW-YHARCJFQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)-2-cyano-prop-2-enoyl]amino]hexyl]-2-cyano-prop-2-enamide
  • (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)-2-cyano-1-oxoallyl]amino]hexyl]-2-cyano-2-propenamide
  • (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)-2-cyano-acryloyl]amino]hexyl]-2-cyano-acrylamide
  • (E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]hexyl]-2-cyanoprop-2-enamide

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
Trichomonas vaginalis conserved hypothetical protein 0.0492 0.2634 0.2453
Schistosoma mansoni N-myristoyltransferase 0.0409 0.2147 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0029 0.0133
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0409 0.2147 1
Giardia lamblia CDC72 0.0409 0.2147 0.5
Brugia malayi N-myristoyltransferase 2 0.0409 0.2147 1
Trypanosoma brucei N-myristoyltransferase 0.0409 0.2147 1
Trypanosoma brucei N-myristoyl transferase, putative 0.0409 0.2147 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0056 0.026
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0409 0.2147 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0029 0.0133
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0082 0.024 0.1116
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.0112 0.0414 0.1928
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0029 0.0133
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0409 0.2147 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0082 0.024 0.1116
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0082 0.024 0.1116
Loa Loa (eye worm) cytochrome P450 family protein 0.0075 0.0202 0.0941
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0409 0.2147 1
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0466 0.217
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0082 0.024 0.1116
Loa Loa (eye worm) hypothetical protein 0.015 0.0638 0.297
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0082 0.024 0.1116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0029 0.0133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0029 0.0133
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0082 0.024 0.1116
Trichomonas vaginalis Sialidase-1 precursor, putative 0.1755 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.0414 0.1928
Brugia malayi MH2 domain containing protein 0.0121 0.0466 0.217
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0029 0.0133
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0082 0.024 0.1116
Trypanosoma cruzi N-myristoyl transferase, putative 0.0409 0.2147 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0082 0.024 0.1116
Brugia malayi hypothetical protein 0.015 0.0638 0.297
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0466 0.217
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0112 0.0414 0.1928
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0082 0.024 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0082 0.024 0.1116
Onchocerca volvulus 0.015 0.0638 0.5
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0082 0.024 0.1116
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0112 0.0414 0.1928
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0056 0.026
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0082 0.024 0.1116
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0112 0.0414 0.1928
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0409 0.2147 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0269 0.1329 0.1116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0029 0.0133
Loa Loa (eye worm) hypothetical protein 0.005 0.0056 0.026
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.0414 0.1928
Loa Loa (eye worm) N-myristoyltransferase 2 0.0409 0.2147 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0409 0.2147 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0112 0.0414 0.1928
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0112 0.0414 0.1928
Leishmania major N-myristoyl transferase, putative 0.0409 0.2147 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0056 0.026
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0082 0.024 0.1116
Trichomonas vaginalis N-myristoyl transferase, putative 0.0409 0.2147 0.1955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0029 0.0133
Brugia malayi Cytochrome P450 family protein 0.0075 0.0202 0.0941
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0082 0.024 0.1116
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0029 0.0133

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibitory activity against dynamin1 GTPase expressed in sheep brain ChEMBL. 16302817
IC50 (binding) > 100 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.