Detailed information for compound 433726

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 700.845 | Formula: C34H48N6O8S
  • H donors: 4 H acceptors: 4 LogP: 8.34 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(OC(C)(C)C)N/C(=N/C(=O)OC(C)(C)C)/Nc1ccc(cc1)Sc1ccc(cc1)N/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C
  • InChi: 1S/C34H48N6O8S/c1-31(2,3)45-27(41)37-25(38-28(42)46-32(4,5)6)35-21-13-17-23(18-14-21)49-24-19-15-22(16-20-24)36-26(39-29(43)47-33(7,8)9)40-30(44)48-34(10,11)12/h13-20H,1-12H3,(H2,35,37,38,41,42)(H2,36,39,40,43,44)
  • InChiKey: LNOXWEQDXUMJCN-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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0221 0.0405 0.7961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.0138 0.3411
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Brugia malayi hypothetical protein 0.0253 0.0509 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Echinococcus multilocularis serine protein kinase ATM 0.0125 0.0092 0.0092
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0125 0.0092 0.2269
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0221 0.0405 0.0978
Trypanosoma cruzi target of rapamycin kinase 3 0.0221 0.0405 0.0978
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.0509 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Loa Loa (eye worm) phosphatidylinositol 3 0.0221 0.0405 0.7961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0221 0.0405 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0221 0.0405 0.7961
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Echinococcus granulosus serine protein kinase ATM 0.0125 0.0092 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0139 0.0138 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0221 0.0405 0.0978
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0139 0.0138 0.1478
Trypanosoma cruzi hypothetical protein, conserved 0.111 0.3294 1
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.0509 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0125 0.0092 0.0092
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Leishmania major hypothetical protein, conserved 0.1152 0.3432 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0221 0.0405 1
Schistosoma mansoni hypothetical protein 0.0195 0.0321 0.7919
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Giardia lamblia GTOR 0.0221 0.0405 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Echinococcus multilocularis geminin 0.0195 0.0321 0.0321
Trichomonas vaginalis PIKK family atypical protein kinase 0.0139 0.0138 0.3411
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.3172 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Echinococcus granulosus geminin 0.0195 0.0321 0.0321
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Loa Loa (eye worm) hypothetical protein 0.0253 0.0509 1
Schistosoma mansoni hypothetical protein 0.0195 0.0321 0.7919
Loa Loa (eye worm) hypothetical protein 0.0125 0.0092 0.1806
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0221 0.0405 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0092 0.1806
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0221 0.0405 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0125 0.0092 0.1806
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0125 0.0092 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0221 0.0405 0.0405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0221 0.0405 0.7961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.0405 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0221 0.0405 0.0978
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0125 0.0092 0.2269
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0221 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0092 0.2269
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0221 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0139 0.0138 0.2716
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0221 0.0405 0.0978

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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