Detailed information for compound 1188368

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.566 | Formula: C25H28N2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.46 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c(c(c1)C)COc1cc(ccc1N(S(=O)(=O)C)C)NC(=O)c1ccccc1
  • InChi: 1S/C25H28N2O4S/c1-17-13-18(2)22(19(3)14-17)16-31-24-15-21(11-12-23(24)27(4)32(5,29)30)26-25(28)20-9-7-6-8-10-20/h6-15H,16H2,1-5H3,(H,26,28)
  • InChiKey: YJIWAMYRAYKHOF-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
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0145 0.0166
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0145 0.0843
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0565 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0772 0.5145
Loa Loa (eye worm) hypothetical protein 0.0049 0.1664 0.1908
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0724 0.4809
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1481 1
Brugia malayi intermediate filament protein 0.0026 0.0644 0.0646
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4763 0.5463
Echinococcus granulosus lamin 0.0026 0.0644 0.4263
Brugia malayi Pre-SET motif family protein 0.0029 0.0772 0.0795
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0145 0.0843
Echinococcus granulosus lamin dm0 0.0026 0.0644 0.4263
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0145 0.0069
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0644 0.0739
Loa Loa (eye worm) hypothetical protein 0.0025 0.0565 0.0649
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0961 0.1014
Brugia malayi hypothetical protein 0.0025 0.0565 0.0556
Brugia malayi Pre-SET motif family protein 0.0203 0.8718 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0622 0.0713
Echinococcus multilocularis musashi 0.0026 0.0644 0.4263
Schistosoma mansoni lamin 0.0026 0.0644 0.3735
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0145 0.0069
Loa Loa (eye worm) hypothetical protein 0.0033 0.0961 0.1102
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0772 0.4698
Echinococcus multilocularis lamin 0.0026 0.0644 0.4263
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0772 0.4698
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1481 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1481 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0644 0.0646
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0145 0.0843
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0565 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0565 0.5
Schistosoma mansoni intermediate filament proteins 0.0026 0.0644 0.3735
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1664 0.1828
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1481 0.1698
Brugia malayi hypothetical protein 0.0016 0.0167 0.0094
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8718 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0772 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1481 1
Schistosoma mansoni hypothetical protein 0.0033 0.0961 0.6108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1664 0.1908
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0772 0.5145
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0565 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0772 0.5145
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0086 0.0098
Brugia malayi MH2 domain containing protein 0.0117 0.4763 0.5418
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1664 0.1828
Loa Loa (eye worm) hypothetical protein 0.0015 0.0145 0.0166
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0025
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0565 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0644 0.0739
Echinococcus multilocularis GPCR, family 2 0.0015 0.0145 0.0843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1481 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1481 1
Echinococcus multilocularis lamin dm0 0.0026 0.0644 0.4263
Loa Loa (eye worm) hypothetical protein 0.0029 0.0772 0.0886
Plasmodium vivax SET domain protein, putative 0.0029 0.0772 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0644 0.4263
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0145 0.0843
Echinococcus granulosus GPCR family 2 0.0015 0.0145 0.0843
Leishmania major hypothetical protein, conserved 0.0025 0.0565 0.5
Onchocerca volvulus 0.0029 0.0772 0.0137
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0772 0.4698
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1481 0.1616
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4763 0.5463
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0644 0.0739
Schistosoma mansoni lamin 0.0026 0.0644 0.3735
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0772 0.4698
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1481 1

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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