Detailed information for compound 936300

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 688.821 | Formula: C36H46F2N2O7S
  • H donors: 0 H acceptors: 3 LogP: 6.14 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)COC[C@@H](N1C[C@@H](C)[C@@H](OCCCC[C@@H](Oc2c(C1=O)ccc(c2)F)C)CN(S(=O)(=O)c1ccc(cc1)F)C)C
  • InChi: 1S/C36H46F2N2O7S/c1-25-21-40(26(2)23-45-24-28-9-14-31(44-5)15-10-28)36(41)33-18-13-30(38)20-34(33)47-27(3)8-6-7-19-46-35(25)22-39(4)48(42,43)32-16-11-29(37)12-17-32/h9-18,20,25-27,35H,6-8,19,21-24H2,1-5H3/t25-,26+,27+,35+/m1/s1
  • InChiKey: ZIWQPAKKBJUXCU-PUNARZIMSA-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 nuclear hormone receptor 0.001 0.0021 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0021 0.0075
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0929 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0021 0.0075
Loa Loa (eye worm) brahma associated protein 0.0229 0.2812 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0021 0.0075
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0081 0.0929 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0081 0.0929 0.3303
Schistosoma mansoni hypothetical protein 0.0229 0.2812 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0229 0.2812 0.2812
Schistosoma mansoni thyroid hormone receptor 0.001 0.0021 0.0075
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0021 0.0075
Chlamydia trachomatis DNA topoisomerase I 0.0229 0.2812 0.5
Brugia malayi ecdysteroid receptor 0.001 0.0021 0.0075
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0021 0.0075
Brugia malayi nuclear receptor NHR-88 0.001 0.0021 0.0075
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0021 0.0075
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0081 0.0929 0.0929
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.0333 0.0333
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0081 0.0929 0.5
Onchocerca volvulus 0.0081 0.0929 0.3253
Brugia malayi SWIB/MDM2 domain containing protein 0.0229 0.2812 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0021 0.0075
Echinococcus granulosus FTZ F1 alpha 0.001 0.0021 0.0021
Loa Loa (eye worm) SRC-1 0.0038 0.0381 0.1289
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0021 0.0075
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0038 0.0381 0.0381
Schistosoma mansoni hypothetical protein 0.0229 0.2812 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0381 0.0381
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0229 0.2812 0.2812
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0081 0.0929 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0035 0.0333 0.0333
Echinococcus granulosus tumor protein p63 0.0688 0.8679 0.8679
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0081 0.0929 0.5
Schistosoma mansoni fusion 0.0081 0.0929 0.3303
Schistosoma mansoni zinc finger protein 0.0081 0.0929 0.3303
Echinococcus multilocularis tyrosine protein kinase Blk 0.0035 0.0333 0.0333
Onchocerca volvulus 0.0081 0.0929 0.3253
Brugia malayi nuclear hormone receptor 0.001 0.0021 0.0075
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0381 0.0381
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0141 0.1691 0.1691
Entamoeba histolytica protein kinase, putative 0.0031 0.0284 0.5
Plasmodium vivax hypothetical protein, conserved 0.0229 0.2812 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0021 0.0075
Schistosoma mansoni hypothetical protein 0.0081 0.0929 0.3303
Schistosoma mansoni tyrosine kinase 0.0038 0.0381 0.1354
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0141 0.1691 0.1691
Schistosoma mansoni hypothetical protein 0.0141 0.1691 0.6015
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.0929 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0021 0.0075
Schistosoma mansoni TRABID protein (C64 family) 0.0081 0.0929 0.3303
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0081 0.0929 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0021 0.0021
Schistosoma mansoni thyroid hormone receptor 0.001 0.0021 0.0075
Brugia malayi SRC-1 0.0038 0.0381 0.1354
Schistosoma mansoni RNA binding protein 0.0081 0.0929 0.3303
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0038 0.0381 0.0381
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0381 0.0381
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0021 0.0021
Leishmania major hypothetical protein, conserved 0.0081 0.0929 0.5
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0081 0.0929 0.3253
Echinococcus granulosus Zinc finger RanBP2 type 0.0081 0.0929 0.0929
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0929 0.5
Schistosoma mansoni hypothetical protein 0.0141 0.1691 0.6015
Schistosoma mansoni coup transcription factor 0.001 0.0021 0.0075
Echinococcus granulosus tyrosine protein kinase Src42A 0.0034 0.0319 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0021 0.0075
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0081 0.0929 0.0929
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0021 0.0021
Echinococcus granulosus tyrosine protein kinase Src42A 0.0038 0.0381 0.0381
Onchocerca volvulus 0.0101 0.1176 0.4137
Leishmania major hypothetical protein, conserved 0.0081 0.0929 0.5
Brugia malayi brahma associated protein 60 kDa 0.0229 0.2812 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0038 0.0381 0.0381
Echinococcus granulosus tyrosine protein kinase Blk 0.0035 0.0333 0.0333
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0021 0.0021
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0038 0.0381 0.0381
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0021 0.0021
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0229 0.2812 1
Leishmania major hypothetical protein, conserved 0.0081 0.0929 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0021 0.0075
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0021 0.0021
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0229 0.2812 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0021 0.0021
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0021 0.0021
Echinococcus granulosus ring and YY1 binding protein 0.0081 0.0929 0.0929
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0021 0.0021
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0021 0.0021
Echinococcus multilocularis SWI:SNF matrix associated 0.0229 0.2812 0.2812
Loa Loa (eye worm) hypothetical protein 0.0101 0.1176 0.4137
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0038 0.0381 0.0381
Echinococcus multilocularis ring and YY1 binding protein 0.0081 0.0929 0.0929
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0021 0.0075
Brugia malayi steroid hormone receptor 0.001 0.0021 0.0075
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0229 0.2812 0.2812
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0229 0.2812 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0929 0.3253
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0081 0.0929 0.3303
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0081 0.0929 0.5
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0081 0.0929 0.0929
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0141 0.1691 0.6015
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.0381 0.0381
Trypanosoma cruzi WLM domain containing protein, putative 0.0081 0.0929 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0081 0.0929 0.3253
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0034 0.0319 0.0319
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0229 0.2812 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0081 0.0929 0.3303
Brugia malayi brahma associated protein 60 kDa 0.0229 0.2812 1
Chlamydia trachomatis SWIB complex protein 0.0229 0.2812 0.5
Loa Loa (eye worm) TK protein kinase 0.0031 0.0284 0.0941
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0021 0.0021
Echinococcus multilocularis tumor protein p63 0.0688 0.8679 0.8679
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0229 0.2812 1
Onchocerca volvulus 0.0081 0.0929 0.3253
Loa Loa (eye worm) hypothetical protein 0.0081 0.0929 0.3253
Echinococcus granulosus zinc finger protein Ran binding 0.0081 0.0929 0.0929
Echinococcus granulosus SWI:SNF matrix associated 0.0229 0.2812 0.2812
Loa Loa (eye worm) hypothetical protein 0.0081 0.0929 0.3253
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0381 0.0381
Echinococcus multilocularis zinc finger protein Ran binding 0.0081 0.0929 0.0929
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0021 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0021 0.0075
Echinococcus multilocularis SWI:SNF matrix associated 0.0229 0.2812 0.2812
Schistosoma mansoni hypothetical protein 0.0141 0.1691 0.6015
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0038 0.0381 0.0381
Schistosoma mansoni cellular tumor antigen P53 0.0101 0.1176 0.4181
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0021 0.0075
Loa Loa (eye worm) apoptosis regulator protein 0.0141 0.1691 0.5985
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0021 0.0075
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0929 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0.1691 0.5985
Onchocerca volvulus 0.0081 0.0929 0.3253
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0038 0.0381 0.0381
Onchocerca volvulus 0.0229 0.2812 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0229 0.2812 0.5
Schistosoma mansoni tyrosine kinase 0.0038 0.0381 0.1354
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0021 0.0075
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0021 0.0021
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0021 0.0021
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0021 0.0021
Brugia malayi YY1-associated factor 2 0.0081 0.0929 0.3303
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0021 0.0075
Loa Loa (eye worm) TK protein kinase 0.0035 0.0333 0.1117
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0141 0.1691 0.6015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0021 0.0075
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.0929 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0081 0.0929 0.3303
Echinococcus multilocularis tyrosine protein kinase HCK 0.0031 0.0284 0.0284
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0021 0.0075
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0021 0.0075
Echinococcus granulosus tyrosine protein kinase HCK 0.0031 0.0284 0.0284
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0081 0.0929 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0038 0.0381 0.0381
Trypanosoma cruzi WLM domain containing protein, putative 0.0081 0.0929 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0038 0.0381 0.0381
Schistosoma mansoni brg-1 associated factor 0.0229 0.2812 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0021 0.0021
Echinococcus multilocularis tyrosine protein kinase Srms 0.0035 0.0333 0.0333
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0021 0.0075
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0791 1 1
Leishmania major hypothetical protein, conserved 0.0081 0.0929 0.5
Echinococcus granulosus tyrosine kinase 0.0035 0.0333 0.0333
Schistosoma mansoni apoptosis regulator bax 0.0141 0.1691 0.6015
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0021 0.0075
Brugia malayi protein-tyrosine kinase 0.0035 0.0333 0.1184
Loa Loa (eye worm) hypothetical protein 0.0081 0.0929 0.3253
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0021 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2812 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0381 0.0381
Leishmania major hypothetical protein, conserved 0.0081 0.0929 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0381 0.0381
Schistosoma mansoni hypothetical protein 0.0229 0.2812 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0021 0.0021

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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