Detailed information for compound 1824308

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 514.635 | Formula: C30H30N2O4S
  • H donors: 2 H acceptors: 4 LogP: 6.69 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCN(C(=O)c1cccc(c1)C#Cc1ccccc1)C(=O)N[C@H](C(=O)O)CSCCc1ccccc1
  • InChi: 1S/C30H30N2O4S/c1-2-19-32(28(33)26-15-9-14-25(21-26)17-16-23-10-5-3-6-11-23)30(36)31-27(29(34)35)22-37-20-18-24-12-7-4-8-13-24/h3-15,21,27H,2,18-20,22H2,1H3,(H,31,36)(H,34,35)/t27-/m0/s1
  • InChiKey: USCVNHSSAZOEFU-MHZLTWQESA-N  

Network

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Synonyms

No synonyms found for this compound

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
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0083 0 0.5
Trypanosoma brucei endonuclease G, putative 0.0317 0.2216 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Echinococcus granulosus Endonuclease G 0.0317 0.2216 0.5262
Schistosoma mansoni biogenic amine (5HT) receptor 0.0144 0.0572 0.0572
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0445 0.3425 0.8134
Trypanosoma cruzi endonuclease G, putative 0.0317 0.2216 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0528 0.4211 0.4211
Loa Loa (eye worm) hypothetical protein 0.0528 0.4211 0.4211
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1141 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Onchocerca volvulus 0.0528 0.4211 0.4211
Loa Loa (eye worm) hypothetical protein 0.0144 0.0572 0.0572
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Onchocerca volvulus 0.1141 1 1
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0317 0.2216 0.5
Schistosoma mansoni hypothetical protein 0.1141 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0528 0.4211 0.4211
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0528 0.4211 0.4211
Echinococcus multilocularis serotonin receptor 0.0144 0.0572 0.1358
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Schistosoma mansoni endonuclease related 0.0317 0.2216 0.2216
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Loa Loa (eye worm) hypothetical protein 0.0445 0.3425 0.3425
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0317 0.2216 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0144 0.0572 0.1358
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0317 0.2216 0.5
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0083 0 0.5
Echinococcus granulosus ectonucleotide 0.0445 0.3425 0.8134
Trypanosoma brucei endonuclease G, putative 0.0317 0.2216 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Trypanosoma brucei endonuclease G, putative 0.0317 0.2216 1
Leishmania major endonuclease G, putative 0.0317 0.2216 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0083 0 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0445 0.3425 0.8134
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0317 0.2216 1
Echinococcus multilocularis Endonuclease G 0.0317 0.2216 0.5262
Loa Loa (eye worm) hypothetical protein 0.0528 0.4211 0.4211
Loa Loa (eye worm) hypothetical protein 0.0144 0.0572 0.0572
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0528 0.4211 0.4211
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Mycobacterium ulcerans hypothetical protein 0.0083 0 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0528 0.4211 0.4211
Echinococcus multilocularis serotonin receptor 0.0144 0.0572 0.1358
Echinococcus multilocularis ectonucleotide 0.0445 0.3425 0.8134
Loa Loa (eye worm) hypothetical protein 0.0528 0.4211 0.4211
Brugia malayi endonuclease G, mitochondrial precursor 0.0317 0.2216 0.2216
Mycobacterium leprae hypothetical protein 0.0083 0 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0528 0.4211 1
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0083 0 0.5
Trypanosoma cruzi endonuclease G, putative 0.0317 0.2216 0.5
Onchocerca volvulus 0.0528 0.4211 0.4211

Activities

No activities found for this compound.

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

No literature references available for this target.

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