Detailed information for compound 1795140

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 505.821 | Formula: C25H23Cl3N2O3
  • H donors: 1 H acceptors: 0 LogP: 6.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cc(Cl)c(cc1OCCN1CCOC(C1)COc1cccc2c1c1ccccc1[nH]2)Cl
  • InChi: 1S/C25H23Cl3N2O3/c26-18-12-20(28)24(13-19(18)27)32-11-9-30-8-10-31-16(14-30)15-33-23-7-3-6-22-25(23)17-4-1-2-5-21(17)29-22/h1-7,12-13,16,29H,8-11,14-15H2
  • InChiKey: RSSYVSUESSRAEW-UHFFFAOYSA-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
Trypanosoma brucei Metacaspase-4 0.0112 0.036 0.5
Echinococcus multilocularis caspase 2 0.0152 0.1636 0.1636
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Trypanosoma brucei metacaspase 5, putative 0.0112 0.036 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Echinococcus multilocularis caspase 0.0253 0.4864 0.4864
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.036 0.5
Trypanosoma brucei metacaspase 0.0112 0.036 0.5
Schistosoma mansoni hypothetical protein 0.0345 0.7769 0.7769
Trypanosoma brucei metacaspase MCA2 0.0112 0.036 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.036 0.5
Echinococcus multilocularis caspase 3 0.0142 0.1302 0.1302
Echinococcus multilocularis caspase 8 0.0112 0.036 0.036
Trypanosoma cruzi metacaspase, putative 0.0112 0.036 0.5
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0415 1 1
Trypanosoma cruzi metacaspase 5, putative 0.0112 0.036 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.036 0.5
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0112 0.036 0.036
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.036 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.036 0.5
Schistosoma mansoni enhancer of zeste ezh 0.0415 1 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0112 0.036 0.5
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0112 0.036 0.036
Echinococcus granulosus polycomb protein suz12 A 0.0345 0.7769 0.7769
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0415 1 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0253 0.4864 0.4864
Plasmodium vivax metacaspase 1, putative 0.0112 0.036 0.5
Loa Loa (eye worm) SET domain-containing protein 0.0415 1 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0112 0.036 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.036 0.036
Trypanosoma cruzi metacaspase, putative 0.0112 0.036 0.5
Brugia malayi Cell death protein 3 precursor 0.0152 0.1636 0.1636
Plasmodium falciparum metacaspase 1 0.0112 0.036 0.5
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0253 0.4864 0.4864
Echinococcus granulosus caspase 0.0253 0.4864 0.4864
Echinococcus granulosus caspase 2 0.0152 0.1636 0.1636
Echinococcus granulosus caspase 8 0.0112 0.036 0.036
Schistosoma mansoni caspase-7 (C14 family) 0.0152 0.1636 0.1636
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.036 0.5
Echinococcus multilocularis polycomb protein suz12 A 0.0345 0.7769 0.7769
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.1636 0.1636
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Plasmodium vivax hypothetical protein, conserved 0.0112 0.036 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Trypanosoma cruzi metacaspase, putative 0.0112 0.036 0.5
Plasmodium falciparum metacaspase-like protein 0.0112 0.036 0.5
Schistosoma mansoni caspase-3 (C14 family) 0.0253 0.4864 0.4864
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0112 0.036 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0112 0.036 0.5
Trypanosoma cruzi metacaspase, putative 0.0112 0.036 0.5
Echinococcus granulosus caspase 3 0.0142 0.1302 0.1302
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0112 0.036 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0152 0.1636 0.5
Leishmania major metacaspase, putative 0.0112 0.036 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.0253 0.4864 0.4864
Trypanosoma brucei metacaspase MCA3 0.0112 0.036 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.

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