Detailed information for compound 1902554

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 529.801 | Formula: C31H55N5O2
  • H donors: 4 H acceptors: 1 LogP: 5.81 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCOc1c(OC)cc(c2c1c(CC)ccn2)NC(CCCNC(CCCNC(CCCN)C)C)C
  • InChi: 1S/C31H55N5O2/c1-7-9-21-38-31-28(37-6)22-27(30-29(31)26(8-2)16-20-35-30)36-25(5)15-12-19-34-24(4)14-11-18-33-23(3)13-10-17-32/h16,20,22-25,33-34,36H,7-15,17-19,21,32H2,1-6H3
  • InChiKey: RCGLGZGPDWJTFH-UHFFFAOYSA-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
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0686 0.4765 0.4752
Plasmodium falciparum plasmepsin VI 0.0686 0.4765 1
Plasmodium falciparum plasmepsin VIII, putative 0.0176 0.1175 0.2322
Leishmania major exportin 1, putative 0.0022 0.0089 0.5
Trichomonas vaginalis chromosome region maintenance protein, putative 0.0022 0.0087 0.0183
Toxoplasma gondii aspartyl protease ASP1 0.0686 0.4765 1
Loa Loa (eye worm) hypothetical protein 0.143 1 1
Plasmodium falciparum plasmepsin V 0.0176 0.1175 0.2322
Plasmodium falciparum plasmepsin IV 0.0686 0.4765 1
Schistosoma mansoni cathepsin D (A01 family) 0.0686 0.4765 0.4719
Plasmodium falciparum plasmepsin III 0.0176 0.1175 0.2322
Plasmodium vivax aspartyl protease, putative 0.0176 0.1175 0.2322
Brugia malayi aspartic protease BmAsp-2, identical 0.0176 0.1175 0.1095
Brugia malayi aspartic protease BmAsp-1, identical 0.0176 0.1175 0.1095
Brugia malayi hypothetical protein 0.0176 0.1175 0.1095
Loa Loa (eye worm) glycogen synthase 0.0584 0.405 0.4035
Toxoplasma gondii aspartyl protease ASP3 0.0176 0.1175 0.2322
Plasmodium vivax plasmepsin V, putative 0.0176 0.1175 0.2322
Loa Loa (eye worm) nuclear export factor CRM1 0.0014 0.0036 0.0011
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0686 0.4765 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Plasmodium vivax aspartyl protease, putative 0.0176 0.1175 0.2322
Loa Loa (eye worm) aspartyl protease 6 0.0176 0.1175 0.1153
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Plasmodium vivax plasmepsin IV, putative 0.0686 0.4765 1
Brugia malayi Pepsin A precursor 0.0176 0.1175 0.1095
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Trypanosoma brucei exportin 1 0.0022 0.0089 0.5
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0686 0.4765 0.4718
Plasmodium falciparum plasmepsin IX 0.0176 0.1175 0.2322
Loa Loa (eye worm) hypothetical protein 0.143 1 1
Brugia malayi Glycogen synthase 0.0584 0.405 0.3996
Loa Loa (eye worm) hypothetical protein 0.143 1 1
Toxoplasma gondii aspartyl protease 0.0176 0.1175 0.2322
Schistosoma mansoni chromosome region maintenance protein 1/exportin 0.0022 0.0089 0.0002
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0176 0.1175 0.1153
Loa Loa (eye worm) hypothetical protein 0.143 1 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0176 0.1175 0.2322
Plasmodium falciparum plasmepsin II 0.0686 0.4765 1
Onchocerca volvulus Glycogen synthase homolog 0.143 1 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0176 0.1175 0.1095
Brugia malayi hypothetical protein 0.0176 0.1175 0.1095
Plasmodium falciparum plasmepsin X 0.0176 0.1175 0.2322
Schistosoma mansoni glycogen synthase 0.143 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0053
Loa Loa (eye worm) hypothetical protein 0.143 1 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0686 0.4765 0.4718
Echinococcus multilocularis glycogen synthase 0.143 1 1
Loa Loa (eye worm) hypothetical protein 0.0584 0.405 0.4035
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Plasmodium vivax aspartyl proteinase, putative 0.0686 0.4765 1
Loa Loa (eye worm) hypothetical protein 0.0686 0.4765 0.4752
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0686 0.4765 1
Schistosoma mansoni cathepsin D (A01 family) 0.0686 0.4765 0.4719
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Entamoeba histolytica hypothetical protein 0.0022 0.0087 0.5
Trypanosoma cruzi exportin 1, putative 0.0022 0.0089 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0686 0.4765 0.4719
Loa Loa (eye worm) hypothetical protein 0.0176 0.1175 0.1153
Plasmodium falciparum plasmepsin VII 0.0176 0.1175 0.2322
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0176 0.1175 0.1097
Plasmodium falciparum plasmepsin I 0.0686 0.4765 1
Loa Loa (eye worm) hypothetical protein 0.143 1 1
Giardia lamblia Glycogen synthase, putative 0.143 1 1
Schistosoma mansoni memapsin-2 (A01 family) 0.0609 0.4221 0.417
Brugia malayi Glycogen synthase 0.0584 0.405 0.3996
Loa Loa (eye worm) hypothetical protein 0.0176 0.1175 0.1153
Echinococcus granulosus glycogen synthase 0.143 1 1
Plasmodium vivax aspartyl protease, putative 0.0176 0.1175 0.2322
Trichomonas vaginalis chromosome region maintenance protein, putative 0.0022 0.0089 0.0187
Plasmodium vivax aspartyl proteinase, putative 0.0176 0.1175 0.2322

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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