Detailed information for compound 1031583

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.893 | Formula: C23H24ClNO5
  • H donors: 1 H acceptors: 2 LogP: 4.27 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOc1ccc(cc1OC)CCNC(=O)C(c1ccc(cc1)Cl)OC(=O)CC
  • InChi: 1S/C23H24ClNO5/c1-4-14-29-19-11-6-16(15-20(19)28-3)12-13-25-23(27)22(30-21(26)5-2)17-7-9-18(24)10-8-17/h1,6-11,15,22H,5,12-14H2,2-3H3,(H,25,27)
  • InChiKey: WFHJBXIPFFOZBQ-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 0.0039 0.3802 0.6145
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0052 0.6187 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.2921 0.4722
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.3802 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.6187 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0041 0.429 0.6934
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.6187 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1897 0.3066
Trypanosoma cruzi target of rapamycin kinase 3 0.0041 0.429 0.6934
Schistosoma mansoni tar DNA-binding protein 0.0073 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1905 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1897 0.3066
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0041 0.429 0.6934
Schistosoma mansoni tar DNA-binding protein 0.0073 1 1
Loa Loa (eye worm) TAR-binding protein 0.0073 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.2441 0.3945
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0052 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.4283 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.3802 0.6145
Schistosoma mansoni tar DNA-binding protein 0.0073 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0052 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.4283 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.3802 0.6145
Brugia malayi RNA recognition motif domain containing protein 0.0073 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.4283 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.6187 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0052 0.6187 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0022 0.0745 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1905 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.2385 0.3855
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0052 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.3802 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.4826 0.78
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.3122 0.5047
Echinococcus granulosus tar DNA binding protein 0.0073 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.2441 0.3945
Giardia lamblia GTOR 0.0052 0.6187 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0052 0.6187 0.6187
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0025 0.1281 0.207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.4283 0.6922
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0052 0.6187 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1905 0.3078
Toxoplasma gondii target of rapamycin (TOR), putative 0.0039 0.3802 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0052 0.6187 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0052 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.3802 0.6145
Brugia malayi TAR-binding protein 0.0073 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0052 0.6187 0.6187
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0052 0.6187 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0052 0.6187 0.5
Loa Loa (eye worm) RNA binding protein 0.0073 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1897 0.3066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.2441 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.4283 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1905 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.2385 0.3855
Echinococcus multilocularis tar DNA binding protein 0.0073 1 1
Schistosoma mansoni tar DNA-binding protein 0.0073 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.3802 0.6145

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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