Detailed information for compound 894994

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.591 | Formula: C29H34N2O4
  • H donors: 0 H acceptors: 2 LogP: 5 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)CN1CCC(CC1)C(N(C(=O)c1ccoc1C)C)Cc1ccccc1
  • InChi: 1S/C29H34N2O4/c1-21-26(15-18-35-21)28(32)30(2)27(19-22-7-5-4-6-8-22)24-13-16-31(17-14-24)20-23-9-11-25(12-10-23)29(33)34-3/h4-12,15,18,24,27H,13-14,16-17,19-20H2,1-3H3
  • InChiKey: OUTDNOGGMXEYJU-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
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Trypanosoma cruzi prolyl endopeptidase 0.043 0.6925 0.6315
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.1711 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0217 0.2589 0.3739
Trypanosoma brucei metacaspase MCA3 0.0581 1 1
Echinococcus multilocularis caspase 2 0.0217 0.2589 0.1684
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.1711 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0171 0.1654 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.043 0.6925 1
Toxoplasma gondii PAN domain-containing protein 0.033 0.489 0.3835
Trypanosoma cruzi metacaspase, putative 0.0581 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.043 0.6925 1
Echinococcus granulosus caspase 2 0.0217 0.2589 0.1684
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.1711 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Echinococcus multilocularis prolyl endopeptidase 0.043 0.6925 1
Toxoplasma gondii PAN domain-containing protein 0.033 0.489 0.3835
Trypanosoma brucei metacaspase 5, putative 0.0581 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.1711 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0581 1 1
Trypanosoma cruzi metacaspase 5, putative 0.0581 1 1
Trypanosoma cruzi metacaspase, putative 0.0581 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0171 0.1654 0.5
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0581 1 1
Loa Loa (eye worm) hypothetical protein 0.043 0.6925 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Trypanosoma cruzi metacaspase, putative 0.0581 1 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.043 0.6925 1
Onchocerca volvulus 0.0119 0.0592 0.0856
Trypanosoma brucei Metacaspase-4 0.0174 0.1711 0.0068
Brugia malayi Cell death protein 3 precursor 0.0217 0.2589 0.3153
Echinococcus granulosus prolyl endopeptidase 0.043 0.6925 1
Schistosoma mansoni caspase-7 (C14 family) 0.0174 0.1711 0.1766
Trypanosoma cruzi metacaspase, putative 0.0581 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0174 0.1711 0.1766
Toxoplasma gondii prolyl endopeptidase 0.043 0.6925 0.629
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5
Brugia malayi prolyl oligopeptidase family protein 0.043 0.6925 1
Trypanosoma brucei metacaspase MCA2 0.0581 1 1
Trypanosoma brucei metacaspase 0.0174 0.1711 0.0068
Loa Loa (eye worm) hypothetical protein 0.0217 0.2589 0.3153
Loa Loa (eye worm) hypothetical protein 0.0174 0.1711 0.1766
Plasmodium falciparum metacaspase 1 0.0581 1 1
Trypanosoma brucei prolyl endopeptidase 0.043 0.6925 0.6315
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.043 0.6925 0.6315
Schistosoma mansoni caspase-7 (C14 family) 0.0217 0.2589 0.3153
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.1711 0.5
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0174 0.1711 0.1766
Schistosoma mansoni caspase-3 (C14 family) 0.0174 0.1711 0.1766
Plasmodium vivax metacaspase 1, putative 0.0581 1 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0385 0.6007 1
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.1711 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0174 0.1711 0.5

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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