Detailed information for compound 1513898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 597.603 | Formula: C27H30F3N3O7S
  • H donors: 1 H acceptors: 5 LogP: 3.18 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)OC(F)(F)F)C[C@H]1N[C@@]([C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1)(CC)C(=O)OC
  • InChi: 1S/C27H30F3N3O7S/c1-4-26(25(36)39-3)22-21(23(34)33(24(22)35)15-17-9-7-6-8-10-17)20(31-26)16-32(5-2)41(37,38)19-13-11-18(12-14-19)40-27(28,29)30/h6-14,20-22,31H,4-5,15-16H2,1-3H3/t20-,21+,22-,26-/m1/s1
  • InChiKey: JVZSPYXFUIUMDU-UXGLMHHASA-N  

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
Chlamydia trachomatis SWIB complex protein 0.0414 0.4977 0.5
Onchocerca volvulus 0.0414 0.4977 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0147 0.1285 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0414 0.4977 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.1285 0.2582
Loa Loa (eye worm) hypothetical protein 0.0147 0.1285 0.2582
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0414 0.4977 0.4236
Trypanosoma cruzi WLM domain containing protein, putative 0.0147 0.1285 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0414 0.4977 0.4236
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0414 0.4977 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0414 0.4977 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0414 0.4977 1
Leishmania major hypothetical protein, conserved 0.0147 0.1285 1
Schistosoma mansoni zinc finger protein 0.0147 0.1285 0.1117
Onchocerca volvulus 0.0147 0.1285 0.1117
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0147 0.1285 0.2582
Leishmania major hypothetical protein, conserved 0.0147 0.1285 1
Onchocerca volvulus 0.0147 0.1285 0.1117
Trypanosoma cruzi hypothetical protein, conserved 0.0147 0.1285 1
Onchocerca volvulus 0.0147 0.1285 0.1117
Echinococcus multilocularis SWI:SNF matrix associated 0.0414 0.4977 0.4236
Loa Loa (eye worm) hypothetical protein 0.0147 0.1285 0.2582
Trypanosoma cruzi hypothetical protein, conserved 0.0147 0.1285 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0147 0.1285 0.2582
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0147 0.1285 1
Leishmania major hypothetical protein, conserved 0.0147 0.1285 1
Onchocerca volvulus 0.0147 0.1285 0.1117
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0147 0.1285 1
Loa Loa (eye worm) brahma associated protein 0.0414 0.4977 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0414 0.4977 1
Schistosoma mansoni brg-1 associated factor 0.0414 0.4977 1
Schistosoma mansoni hypothetical protein 0.0414 0.4977 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0147 0.1285 1
Brugia malayi brahma associated protein 60 kDa 0.0414 0.4977 1
Chlamydia trachomatis DNA topoisomerase I 0.0414 0.4977 0.5
Schistosoma mansoni fusion 0.0147 0.1285 0.1117
Schistosoma mansoni hypothetical protein 0.0147 0.1285 0.1117
Trypanosoma brucei hypothetical protein, conserved 0.0147 0.1285 1
Echinococcus granulosus SWI:SNF matrix associated 0.0414 0.4977 0.4236
Schistosoma mansoni hypothetical protein 0.0414 0.4977 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0147 0.1285 0.2582
Loa Loa (eye worm) hypothetical protein 0.0147 0.1285 0.2582
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0147 0.1285 0.1117
Schistosoma mansoni RNA binding protein 0.0147 0.1285 0.1117
Trypanosoma brucei hypothetical protein, conserved 0.0147 0.1285 1
Trypanosoma cruzi hypothetical protein, conserved 0.0147 0.1285 1
Schistosoma mansoni TRABID protein (C64 family) 0.0147 0.1285 0.1117
Echinococcus multilocularis SWI:SNF matrix associated 0.0414 0.4977 0.4236
Leishmania major hypothetical protein, conserved 0.0147 0.1285 1
Brugia malayi brahma associated protein 60 kDa 0.0414 0.4977 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0147 0.1285 1
Plasmodium vivax hypothetical protein, conserved 0.0414 0.4977 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0414 0.4977 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0147 0.1285 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0147 0.1285 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0414 0.4977 0.4236
Loa Loa (eye worm) hypothetical protein 0.0114 0.0821 0.1649
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0414 0.4977 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.1285 0.2582
Brugia malayi YY1-associated factor 2 0.0147 0.1285 0.2582
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0147 0.1285 0.2582
Schistosoma mansoni hypothetical protein 0.0414 0.4977 1
Leishmania major hypothetical protein, conserved 0.0147 0.1285 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0147 0.1285 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0414 0.4977 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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