Detailed information for compound 1824857

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.58 | Formula: C25H29N3O4S
  • H donors: 2 H acceptors: 4 LogP: 5.98 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(c1ccc(cc1)OC(C(=O)O)(C)C)CC1CCCCC1)Nc1nc2c(s1)cccc2
  • InChi: 1S/C25H29N3O4S/c1-25(2,22(29)30)32-19-14-12-18(13-15-19)28(16-17-8-4-3-5-9-17)24(31)27-23-26-20-10-6-7-11-21(20)33-23/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3,(H,29,30)(H,26,27,31)
  • InChiKey: RKOKWWWJPHZXTP-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.5 0.5
Echinococcus multilocularis transmembrane protease serine 3 0.0253 0.5 0.5
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0253 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.5 0.5
Onchocerca volvulus 0.0253 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Brugia malayi Trypsin family protein 0.0253 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0253 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Onchocerca volvulus 0.0253 0.5 0.5
Onchocerca volvulus 0.0253 0.5 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0253 0.5 0.5
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Onchocerca volvulus 0.0253 0.5 0.5
Brugia malayi Trypsin family protein 0.0253 0.5 0.5
Echinococcus granulosus Mastin 0.0253 0.5 0.5
Echinococcus multilocularis enteropeptidase 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Brugia malayi Trypsin-like protease protein 5 0.0253 0.5 0.5
Echinococcus multilocularis glycoprotein Antigen 5 0.0253 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0253 0.5 0.5
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Echinococcus granulosus transmembrane protease serine 3 0.0253 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.5 0.5
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Brugia malayi hypothetical protein 0.0253 0.5 0.5
Echinococcus multilocularis Mastin 0.0253 0.5 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0253 0.5 0.5
Brugia malayi Trypsin family protein 0.0253 0.5 0.5
Onchocerca volvulus 0.0253 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.5 0.5
Echinococcus granulosus enteropeptidase 0.0253 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Onchocerca volvulus 0.0253 0.5 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.5 0.5
Loa Loa (eye worm) trypsin family protein 0.0253 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0253 0.5 0.5
Echinococcus granulosus glycoprotein Antigen 5 0.0253 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) > 38.8 % Activation of PPAR-gamma (unknown origin) transfected in human U2OS cells assessed as increase in transcriptional activity at 10'-6 M after 24 hrs by luciferase reporter gene assay relative to rosiglitazone ChEMBL. 24583379
FC (binding) = 1.7 Activation of glucokinase (unknown origin) using glucose as substrate at 10 uM relative to control ChEMBL. 24583379

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

1 literature reference was collected for this gene.

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