Detailed information for compound 1779734

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.597 | Formula: C23H28O3S2
  • H donors: 0 H acceptors: 1 LogP: 5.9 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(SCCOc1ccc2c(c1)C(=O)c1c2ccc(c1)OCCSC(C)C)C
  • InChi: 1S/C23H28O3S2/c1-15(2)27-11-9-25-17-5-7-19-20-8-6-18(26-10-12-28-16(3)4)14-22(20)23(24)21(19)13-17/h5-8,13-16H,9-12H2,1-4H3
  • InChiKey: CVSRRTLZORVHKQ-UHFFFAOYSA-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
Entamoeba histolytica protein kinase, putative 0.0414 0.5202 0.8175
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0473 0.6291 1
Trichomonas vaginalis AGC family protein kinase 0.0414 0.5202 0.8175
Trichomonas vaginalis AGC family protein kinase 0.0414 0.5202 0.8175
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0151 0.0324 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0673 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0673 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0473 0.6291 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0151 0.0324 0.0515
Entamoeba histolytica hypothetical protein 0.0399 0.4915 0.7694
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0456 0.5967 0.9457
Brugia malayi Protein kinase domain containing protein 0.0414 0.5202 0.8175
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0191 0.1058 0.123
Loa Loa (eye worm) hypothetical protein 0.0208 0.1379 0.1599
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0473 0.6291 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0473 0.6291 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.2434 0.2822
Loa Loa (eye worm) phosphatidylinositol 3 0.0599 0.8624 1
Trichomonas vaginalis AGC family protein kinase 0.0414 0.5202 0.8175
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0414 0.5202 0.3659
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0473 0.6291 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0473 0.6291 1
Schistosoma mansoni serine/threonine protein kinase 0.0414 0.5202 0.5042
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0359 0.4181 0.6464
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0359 0.4181 0.6464
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0414 0.5202 0.6033
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0473 0.6291 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0414 0.5202 0.6033
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0414 0.5202 0.3659
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0399 0.4915 0.7694
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0285 0.2805 0.5
Brugia malayi phosphoinositide-dependent protein kinase I 0.0414 0.5202 0.8175
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.02 0.1231 0.1519
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0265 0.2434 0.3536

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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