Detailed information for compound 1564128

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 606.497 | Formula: C21H27IN4O5S2
  • H donors: 3 H acceptors: 5 LogP: 1.16 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: SC[C@@H](C(=O)SC1CC(=O)N(C1=O)CCCCCNC(=O)CNC(=O)c1cccc(c1)I)N
  • InChi: 1S/C21H27IN4O5S2/c22-14-6-4-5-13(9-14)19(29)25-11-17(27)24-7-2-1-3-8-26-18(28)10-16(20(26)30)33-21(31)15(23)12-32/h4-6,9,15-16,32H,1-3,7-8,10-12,23H2,(H,24,27)(H,25,29)/t15-,16?/m0/s1
  • InChiKey: DTWJXEDGRFCWAL-VYRBHSGPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Brugia malayi Calcium binding EGF domain containing protein 0.0167 0.4189 0.4189
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.035 1 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.035 1 0.5
Loa Loa (eye worm) calcium binding EGF domain-containing protein 0.0167 0.4189 0.4189
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.035 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0382 0.0382
Echinococcus granulosus laminin 0.0047 0.0346 0.0153
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.035 1 1
Echinococcus multilocularis fibrillin 1 0.0047 0.0346 0.0153
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0085 0.157 0.157
Loa Loa (eye worm) hypothetical protein 0.0042 0.0197 0.0197
Leishmania major eukaryotic initiation factor 4a, putative 0.035 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.035 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.009 0.172 0.172
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.035 1 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.035 1 0.5
Brugia malayi Fibulin-1 precursor 0.0047 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.035 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.035 1 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0047 0.0346 0.0346
Treponema pallidum ATP-dependent RNA helicase 0.035 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.3048 0.3048
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.035 1 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.035 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0197 0.0197
Onchocerca volvulus 0.0167 0.4189 0.3107
Echinococcus multilocularis laminin 0.0047 0.0346 0.0153
Brugia malayi Low-density lipoprotein receptor-related protein, putative 0.0043 0.0232 0.0232
Echinococcus granulosus eukaryotic initiation factor 4A 0.035 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0047 0.0346 0.0346
Echinococcus multilocularis eukaryotic initiation factor 4A 0.035 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0729 0.0729
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.035 1 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.035 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.035 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.035 1 0.5
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0042 0.0197 0.0197
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0085 0.157 0.157
Plasmodium falciparum eukaryotic initiation factor 4A 0.035 1 0.5
Plasmodium vivax RNA helicase-1, putative 0.035 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.035 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.035 1 1

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.

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