Detailed information for compound 833863

Basic information

Technical information
  • TDR Targets ID: 833863
  • Name: ST5110754
  • MW: 457.523 | Formula: C21H19N3O5S2
  • H donors: 2 H acceptors: 7 LogP: 1.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(n1)O
  • InChi: 1S/C21H19N3O5S2/c25-11(26)3-5-24-19(27)14-9-6-10(15(14)20(24)28)16-13(9)12(8-2-1-4-22-7-8)17-18(30-16)23-21(29)31-17/h1-2,4,7,9-10,12-16H,3,5-6H2,(H,23,29)(H,25,26)
  • InChiKey: UEKYUIWOLDXTBV-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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0244 0.2058 0.2927
Entamoeba histolytica hypothetical protein 0.0449 0.5162 0.7341
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0573 0.7032 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0244 0.2058 0.2927
Echinococcus multilocularis Zinc finger, PHD finger 0.012 0.0188 0.0188
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0196 0.1336 0.19
Plasmodium falciparum phosphatidylinositol 3-kinase 0.012 0.0188 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0769 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0573 0.7032 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0244 0.2058 0.2927
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.012 0.0188 0.0268
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0276 0.2539 0.3611
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0436 0.4956 0.7048
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0413 0.4615 0.4615
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.1688 0.2076
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0573 0.7032 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0244 0.2058 0.2927
Loa Loa (eye worm) hypothetical protein 0.0413 0.4615 0.5676
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0312 0.3086 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0278 0.2573 0.2573
Loa Loa (eye worm) hypothetical protein 0.0204 0.1455 0.179
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0573 0.7032 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0244 0.2058 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.012 0.0188 0.0188
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.012 0.0188 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0573 0.7032 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0436 0.4956 0.7048
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0245 0.2076 0.2952
Loa Loa (eye worm) phosphatidylinositol 3 0.0645 0.813 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0244 0.2058 0.2927
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0244 0.2058 0.2927
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0413 0.4615 0.4615
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0548 0.6661 0.9473
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0449 0.5162 0.7341
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0769 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0573 0.7032 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.012 0.0188 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0219 0.1688 0.24
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0415 0.4649 0.6611
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.012 0.0188 0.0188
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0573 0.7032 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.012 0.0188 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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