Detailed information for compound 880799

Basic information

Technical information
  • TDR Targets ID: 880799
  • Name: 2-[4-(4-bromophenyl)pyridin-3-yl]-3-(3-methyl sulfanylpropyl)-1,3-thiazolidin-4-one
  • MW: 423.39 | Formula: C18H19BrN2OS2
  • H donors: 0 H acceptors: 2 LogP: 4.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCCN1C(=O)CSC1c1cnccc1c1ccc(cc1)Br
  • InChi: 1S/C18H19BrN2OS2/c1-23-10-2-9-21-17(22)12-24-18(21)16-11-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-8,11,18H,2,9-10,12H2,1H3
  • InChiKey: OJESPPROJAYBAQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(4-bromophenyl)-3-pyridyl]-3-(3-methylsulfanylpropyl)thiazolidin-4-one
  • 2-[4-(4-bromophenyl)-3-pyridyl]-3-[3-(methylthio)propyl]-4-thiazolidinone
  • 2-[4-(4-bromophenyl)-3-pyridyl]-3-[3-(methylthio)propyl]thiazolidin-4-one

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
Giardia lamblia Kinase, CDC7 0.118923 1 1
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.00183008 0 0.5
Trypanosoma brucei protein kinase, putative 0.00183008 0 0.5
Schistosoma mansoni kinase 0.00657858 0.0405533 0.0405533
Trypanosoma cruzi serine/threonine protein kinase, putative 0.00183008 0 0.5
Plasmodium falciparum MO15-related protein kinase 0.00183008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.032557 0.262415 0.262415
Onchocerca volvulus 0.118923 1 0.5
Brugia malayi Protein kinase domain containing protein 0.118923 1 1
Echinococcus granulosus cyclin dependent kinase 9 0.00765933 0.0497831 0.0497831
Leishmania major serine/threonine kinase-like protein, putative 0.00183008 0 0.5
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.00183008 0 0.5
Brugia malayi cyclin-dependent kinase 9 0.00657858 0.0405533 0.0405533
Entamoeba histolytica protein kinase domain containing protein 0.00657858 0.0405533 1
Trichomonas vaginalis CMGC family protein kinase 0.118923 1 1
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.00183008 0 0.5
Loa Loa (eye worm) CDC7 protein kinase 0.118923 1 1
Echinococcus multilocularis cyclin dependent kinase 9 0.00657858 0.0405533 0.0405533
Echinococcus granulosus cyclin dependent kinase 9 0.00657858 0.0405533 0.0405533
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.00183008 0 0.5
Echinococcus multilocularis cyclin dependent kinase 9 0.00765933 0.0497831 0.0497831
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.00183008 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.118923 1 1
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.00657858 0.0405533 0.0405533
Onchocerca volvulus 0.118923 1 0.5
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.00183008 0 0.5
Echinococcus multilocularis CDC7 cell division cycle 7 0.118923 1 1
Schistosoma mansoni serine/threonine protein kinase 0.00657858 0.0405533 0.0405533
Echinococcus granulosus CDC7 cell division cycle 7 0.118923 1 1
Trichomonas vaginalis CMGC family protein kinase 0.118923 1 1
Trichomonas vaginalis CMGC family protein kinase 0.118923 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.17 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 1.1719 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 1.21 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 1.2141 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
Percent growth inhibition (functional) = 103.4 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 110.2 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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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