Detailed information for compound 67258

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 484.896 | Formula: C23H24ClF3N2O4
  • H donors: 1 H acceptors: 2 LogP: 4.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C[C@@H](OC1=O)CN1CCC(CC1)(O)c1ccc(c(c1)C(F)(F)F)Cl
  • InChi: 1S/C23H24ClF3N2O4/c1-32-17-5-3-16(4-6-17)29-14-18(33-21(29)30)13-28-10-8-22(31,9-11-28)15-2-7-20(24)19(12-15)23(25,26)27/h2-7,12,18,31H,8-11,13-14H2,1H3/t18-/m0/s1
  • InChiKey: UWERSZSISRYZKK-SFHVURJKSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sigma non-opioid intracellular receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051

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 celfurPC protein 0.0589 0.7955 0.7955
Loa Loa (eye worm) hypothetical protein 0.0731 1 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.2717 0.2717
Loa Loa (eye worm) hypothetical protein 0.0167 0.1839 0.1839
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0731 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0444 0.5854 1
Echinococcus multilocularis 0.0589 0.7955 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0173 0.1926 0.0599
Echinococcus granulosus furin 0.0731 1 1
Loa Loa (eye worm) hypothetical protein 0.0445 0.5862 0.5862
Onchocerca volvulus CoRest homolog 0.0171 0.1909 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0459 0.6072 0.6072
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.5862 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.5862 0.5
Loa Loa (eye worm) hypothetical protein 0.0287 0.3576 0.3576
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0173 0.1926 0.1032
Loa Loa (eye worm) endoprotease bli-4 0.0731 1 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.1909 0.1909
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0173 0.1926 0.1032
Loa Loa (eye worm) hypothetical protein 0.0137 0.1412 0.1412
Echinococcus granulosus neuroendocrine convertase 2 0.0459 0.6072 0.5426
Echinococcus multilocularis Furin 1 0.0173 0.1926 0.0786
Brugia malayi Myb-like DNA-binding domain containing protein 0.0167 0.1839 0.1839
Loa Loa (eye worm) proprotein convertase 2 0.0173 0.1926 0.1926
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0173 0.1926 0.1032
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.5862 0.5862
Giardia lamblia High cysteine membrane protein Group 2 0.0272 0.3357 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.5862 0.5
Echinococcus granulosus Furin 1 0.0173 0.1926 0.0599
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0173 0.1926 0.1032
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0444 0.5854 0.6788
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0444 0.5854 0.5172
Brugia malayi proprotein convertase 2 0.0459 0.6072 0.6072
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0444 0.5854 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0173 0.1926 0.1032
Schistosoma mansoni furin-1 (S08 family) 0.0318 0.4027 0.3045
Brugia malayi SWIRM domain containing protein 0.0149 0.158 0.158
Loa Loa (eye worm) hypothetical protein 0.0149 0.158 0.158
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0173 0.1926 0.1032
Echinococcus multilocularis neuroendocrine convertase 2 0.0459 0.6072 0.7122
Loa Loa (eye worm) hypothetical protein 0.0137 0.1412 0.1412
Schistosoma mansoni hypothetical protein 0.0141 0.1474 0.0072

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 15 nM l-1 Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]-SKF-10047 ChEMBL. No reference
Ki (binding) = 15 nM l-1 Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]-SKF-10047 ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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