Detailed information for compound 1937910

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 607.869 | Formula: C36H57N5O3
  • H donors: 4 H acceptors: 3 LogP: 6.39 Rotable bonds: 27
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCC(=O)N(CCCNC(=O)[C@H](Cc1ccccc1)N)CCCNC(=O)[C@H](Cc1ccccc1)N
  • InChi: 1S/C36H57N5O3/c1-2-3-4-5-6-7-8-9-16-23-34(42)41(26-17-24-39-35(43)32(37)28-30-19-12-10-13-20-30)27-18-25-40-36(44)33(38)29-31-21-14-11-15-22-31/h10-15,19-22,32-33H,2-9,16-18,23-29,37-38H2,1H3,(H,39,43)(H,40,44)/t32-,33-/m0/s1
  • InChiKey: TZJHMPIYNHJORW-LQJZCPKCSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0153 0.0153
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0057 0.0164 0.0164
Leishmania major C-8 sterol isomerase-like protein 0.0645 0.2804 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2247 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0057 0.0164 0.0164
Schistosoma mansoni vesicular acetylcholine transporter 0.2247 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0034 0.006 0.006
Brugia malayi calpain family protein 1 0.0055 0.0153 0.0153
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0645 0.2804 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0645 0.2804 1
Plasmodium vivax calpain, putative 0.0021 0 0.5
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2247 1 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.2247 1 1
Loa Loa (eye worm) hypothetical protein 0.0645 0.2804 0.2804
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0645 0.2804 0.2804
Loa Loa (eye worm) hypothetical protein 0.033 0.1388 0.1388
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0057 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0055 0.0153 0.0153
Echinococcus multilocularis calpain family protein 1, d 0.004 0.0088 0.0088
Echinococcus multilocularis calpain A 0.0057 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.004 0.0088 0.0088
Echinococcus granulosus vesicular acetylcholine transporter 0.2247 1 1
Echinococcus granulosus calpain A 0.0057 0.0164 0.0164
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0057 0.0164 0.0164
Brugia malayi calpain family protein 1 0.0055 0.0153 0.0153
Loa Loa (eye worm) calpain family protein 1 0.004 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0048 0.0125 0.0125

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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