Detailed information for compound 1525242

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 547.882 | Formula: C27H18ClF4NO5
  • H donors: 0 H acceptors: 1 LogP: 6.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc2c(c1OC(=O)c1ccc(cc1C(F)(F)F)F)c[n+]1c(c2)c2cc3OCOc3cc2CC1.[Cl-]
  • InChi: 1S/C27H18F4NO5.ClH/c1-34-22-5-2-14-8-21-18-11-24-23(35-13-36-24)9-15(18)6-7-32(21)12-19(14)25(22)37-26(33)17-4-3-16(28)10-20(17)27(29,30)31;/h2-5,8-12H,6-7,13H2,1H3;1H/q+1;/p-1
  • InChiKey: HMICVOHDRRUNOV-UHFFFAOYSA-M  

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
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.7885 1 1
Mycobacterium ulcerans hypothetical protein 0.0416 0.0296 0.5
Onchocerca volvulus 0.1878 0.2195 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.1065 0.114 0.114
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.7885 1 1
Toxoplasma gondii dgat2l1-prov protein 0.1878 0.2195 1
Loa Loa (eye worm) hypothetical protein 0.0886 0.0907 0.0907
Leishmania major diacylglycerol acyltransferase, putative 0.1878 0.2195 1
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.1878 0.2195 1
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.7885 1 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.1065 0.114 0.5
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Loa Loa (eye worm) hypothetical protein 0.7885 1 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.1065 0.114 0.0697
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.1878 0.2195 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.1878 0.2195 0.2195
Loa Loa (eye worm) hypothetical protein 0.0555 0.0476 0.0476
Brugia malayi GNT-I family protein 0.0555 0.0476 0.0476
Toxoplasma gondii mono- or diacylglycerol acyltransferase 0.0416 0.0296 0.1349
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Schistosoma mansoni alpha-13-mannosyl-glycoprotein beta-1 2-n-acetylglucosaminyltransferase 0.0555 0.0476 0.0185
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.1065 0.114 0.0697
Loa Loa (eye worm) hypothetical protein 0.0555 0.0476 0.0476
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.1878 0.2195 1
Brugia malayi diacylglycerol acyltransferase 0.1065 0.114 0.114
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.1065 0.114 0.5192
Brugia malayi diacylglycerol acyltransferase family protein 0.1878 0.2195 0.2195
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.1065 0.114 0.087
Plasmodium falciparum diacylglycerol O-acyltransferase 0.1065 0.114 0.5
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Trichomonas vaginalis conserved hypothetical protein 0.047 0.0366 1
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.1065 0.114 0.5192
Brugia malayi Pax transcription factor protein 2 0.0234 0.0059 0.0059
Toxoplasma gondii diacylglycerol acyltransferase 0.0416 0.0296 0.1349
Loa Loa (eye worm) pax transcription factor protein 2 0.0234 0.0059 0.0059
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.1878 0.2195 0.1957

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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