Detailed information for compound 883717

Basic information

Technical information
  • TDR Targets ID: 883717
  • Name: tert-butyl 3-[2-(3-bromo-4-fluorophenyl)-4-ox o-1,3-thiazolidin-3-yl]propanoate
  • MW: 404.294 | Formula: C16H19BrFNO3S
  • H donors: 0 H acceptors: 2 LogP: 3.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OC(C)(C)C)CCN1C(=O)CSC1c1ccc(c(c1)Br)F
  • InChi: 1S/C16H19BrFNO3S/c1-16(2,3)22-14(21)6-7-19-13(20)9-23-15(19)10-4-5-12(18)11(17)8-10/h4-5,8,15H,6-7,9H2,1-3H3
  • InChiKey: GNKVJFQYRMFRGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • tert-butyl 3-[2-(3-bromo-4-fluoro-phenyl)-4-oxo-thiazolidin-3-yl]propanoate
  • 3-[2-(3-bromo-4-fluorophenyl)-4-oxo-3-thiazolidinyl]propanoic acid tert-butyl ester
  • 3-[2-(3-bromo-4-fluoro-phenyl)-4-keto-thiazolidin-3-yl]propionic acid tert-butyl ester
  • tert-butyl 3-[2-(3-bromo-4-fluoro-phenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
  • Oprea1_431566

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
Echinococcus multilocularis tyrosine protein kinase Abl 0.012 0.1683 0.395
Brugia malayi Immunoglobulin I-set domain containing protein 0.0074 0.0886 0.3125
Brugia malayi Tyrosine-protein kinase abl-1 0.012 0.1683 0.7002
Brugia malayi Protein kinase domain containing protein 0.0054 0.0531 0.1398
Entamoeba histolytica cyclin, putative 0.006 0.0641 0.2784
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.0934 0.2193
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.051 0.855 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0051 0.0481 0.1129
Trichomonas vaginalis cyclin B, putative 0.006 0.0641 0.3281
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0127 0.1818 0.4267
Echinococcus multilocularis tyrosine protein kinase Blk 0.0051 0.0481 0.1129
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.004 0.028 0.0177
Echinococcus multilocularis roundabout 2 0.0073 0.0866 0.2033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.1671 0.6942
Echinococcus granulosus cyclin B 0.006 0.0641 0.0749
Schistosoma mansoni cell adhesion molecule 0.0067 0.0752 0.1827
Trichomonas vaginalis cyclin A, putative 0.006 0.0641 0.3281
Brugia malayi Cyclin, N-terminal domain containing protein 0.006 0.0641 0.1933
Trichomonas vaginalis cyclin B, putative 0.006 0.0641 0.3281
Trichomonas vaginalis cyclin B, putative 0.006 0.0641 0.3281
Giardia lamblia G2/mitotic-specific cyclin B 0.006 0.0641 1
Echinococcus multilocularis cyclin dependent kinase 0.0054 0.0531 0.1246
Brugia malayi cell division control protein 2 homolog 0.0054 0.0531 0.1398
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0038 0.0243 0.0571
Loa Loa (eye worm) TK protein kinase 0.0051 0.0481 0.0269
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0223 0.3511 0.8531
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0531 0.2155
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0054 0.0531 0.032
Entamoeba histolytica hypothetical protein 0.0095 0.1244 0.7009
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0531 0.2155
Brugia malayi hypothetical protein 0.0058 0.0606 0.1766
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0531 0.1246
Trichomonas vaginalis cyclin B, putative 0.0038 0.0243 0.0688
Echinococcus granulosus tyrosine protein kinase Blk 0.0051 0.0481 0.0563
Echinococcus granulosus cyclin dependent kinase 0.0054 0.0531 0.0621
Trypanosoma cruzi cyclin, putative 0.006 0.0641 0.2911
Loa Loa (eye worm) hypothetical protein 0.006 0.0641 0.0432
Echinococcus multilocularis cyclins 0.0038 0.0243 0.0571
Trichomonas vaginalis cyclins, putative 0.0038 0.0243 0.0688
Onchocerca volvulus 0.006 0.0641 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0059 0.0622 0.0728
Loa Loa (eye worm) hypothetical protein 0.0073 0.0866 0.0663
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0059 0.0622 0.146
Echinococcus multilocularis Immunoglobulin 0.0058 0.0606 0.1423
Echinococcus multilocularis cyclin b3 0.0038 0.0243 0.0571
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.1609 0.9566
Echinococcus multilocularis Immunoglobulin 0.0058 0.0606 0.1423
Loa Loa (eye worm) hypothetical protein 0.0073 0.0866 0.0663
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0082 0.1016 0.5729
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0059 0.0622 0.146
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.1671 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0266 0.4261 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0059 0.0622 0.146
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.004 0.028 0.068
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0105 0.1421 0.573
Trichomonas vaginalis cyclin B, putative 0.006 0.0641 0.3281
Echinococcus granulosus tyrosine kinase 0.0051 0.0481 0.0563
Trichomonas vaginalis cyclins, putative 0.006 0.0641 0.3281
Loa Loa (eye worm) hypothetical protein 0.0058 0.0606 0.0397
Echinococcus granulosus cyclin B3 1 0.0038 0.0243 0.0285
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0059 0.0622 0.146
Echinococcus granulosus roundabout 2 0.0073 0.0866 0.1013
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0082 0.1016 0.5729
Schistosoma mansoni tyrosine kinase 0.0258 0.4116 1
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0127 0.1818 0.4267
Echinococcus multilocularis tyrosine protein kinase HCK 0.0043 0.0337 0.079
Schistosoma mansoni serine/threonine protein kinase 0.0205 0.3181 0.7728
Schistosoma mansoni vesicular amine transporter 0.0058 0.0606 0.1473
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0531 0.032
Giardia lamblia Kinase, CMGC CDK 0.0054 0.0531 0.8077
Brugia malayi Fibronectin type III domain containing protein 0.0058 0.0606 0.1766
Echinococcus multilocularis tyrosine protein kinase Srms 0.0051 0.0481 0.1129
Trichomonas vaginalis cyclins, putative 0.006 0.0641 0.3281
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.004 0.028 0.0254
Loa Loa (eye worm) TK/ABL protein kinase 0.0266 0.4261 0.4133
Echinococcus granulosus tyrosine protein kinase ABL1 0.0266 0.4261 0.4983
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0223 0.3511 0.4107
Schistosoma mansoni cyclins 0.0038 0.0243 0.0591
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0531 0.032
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0057 0.0589 0.9097
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.004 0.028 0.0925
Giardia lamblia Cyclin A 0.0038 0.0243 0.3046
Echinococcus multilocularis cyclins 0.0038 0.0243 0.0571
Trichomonas vaginalis cyclin B3, putative 0.0038 0.0243 0.0688
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0059 0.0622 0.0728
Echinococcus multilocularis cyclins 0.0038 0.0243 0.0571
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.1671 1
Loa Loa (eye worm) TK protein kinase 0.0043 0.0337 0.0121
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.0347 0.0815
Echinococcus multilocularis neuroglian 0.0065 0.0721 0.1691
Loa Loa (eye worm) hypothetical protein 0.0042 0.0317 0.0101
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0127 0.1818 0.2126
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0119 0.1671 1
Echinococcus granulosus cyclin dependent kinase 6 0.0205 0.3181 0.3721
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0243 0.0688
Plasmodium falciparum protein kinase 5 0.0054 0.0531 1
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0531 0.2155
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0067 0.0752 0.088
Trypanosoma cruzi CYC2-like cyclin, putative 0.006 0.0641 0.2911
Echinococcus granulosus fibroblast growth factor receptor 4 0.0127 0.1818 0.2126
Loa Loa (eye worm) SRC-1 0.0059 0.0622 0.0413
Brugia malayi protein-tyrosine kinase 0.0051 0.0481 0.1157
Entamoeba histolytica protein kinase, putative 0.0043 0.0337 0.0653
Giardia lamblia Kinase, CMGC CDK 0.0054 0.0531 0.8077
Trypanosoma cruzi cyclin, putative 0.006 0.0641 0.2911
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0119 0.1671 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0059 0.0622 0.146
Echinococcus granulosus neuroglian 0.0065 0.0721 0.0843
Echinococcus granulosus defective proboscis extension response 0.0058 0.0606 0.0709
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.0934 0.1093
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0531 0.2564
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0531 0.1246
Loa Loa (eye worm) hypothetical protein 0.0052 0.0492 0.028
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0051 0.0481 0.0563
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0531 0.129
Loa Loa (eye worm) hypothetical protein 0.0058 0.0606 0.0397
Echinococcus multilocularis cyclin dependent kinase 6 0.0205 0.3181 0.7466
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0531 0.129
Echinococcus multilocularis cyclin B3 1 0.0038 0.0243 0.0571
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0038 0.0243 0.0285
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0058 0.0606 0.1473
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0074 0.0886 0.0683
Echinococcus granulosus tyrosine protein kinase Src42A 0.0059 0.0622 0.0728
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.004 0.028 0.0254
Echinococcus multilocularis cyclins 0.0038 0.0243 0.0571
Echinococcus granulosus cyclin dependent kinase 5 0.0054 0.0531 0.0621
Brugia malayi Tyrosine-protein kinase abl-1 0.0155 0.2299 1
Echinococcus granulosus cyclins 0.0038 0.0243 0.0285
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0059 0.0622 0.146
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0058 0.0606 0.1423
Schistosoma mansoni cyclin B 0.006 0.0641 0.1557
Echinococcus granulosus tyrosine protein kinase Fyn 0.0059 0.0622 0.0728
Loa Loa (eye worm) phosphatidylinositol 3 0.0199 0.3084 0.293
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0059 0.0622 0.146
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0059 0.0622 0.146
Giardia lamblia Hypothetical protein 0.0038 0.0243 0.3046
Echinococcus granulosus cyclins 0.0038 0.0243 0.0285
Trypanosoma brucei cdc2-related kinase 3 0.0054 0.0531 0.6956
Schistosoma mansoni tyrosine kinase 0.0059 0.0622 0.1512
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0119 0.1671 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0059 0.0622 0.0728
Brugia malayi Immunoglobulin I-set domain containing protein 0.0134 0.1932 0.8215
Loa Loa (eye worm) hypothetical protein 0.0103 0.1397 0.1206
Echinococcus granulosus Immunoglobulin 0.0058 0.0606 0.0709
Trichomonas vaginalis cyclins, putative 0.006 0.0641 0.3281
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0531 0.2564
Trichomonas vaginalis cyclin D, putative 0.0038 0.0243 0.0688
Echinococcus granulosus cyclins 0.0038 0.0243 0.0285
Trypanosoma brucei mitotic cyclin 6 0.006 0.0641 1
Echinococcus granulosus cyclins 0.0038 0.0243 0.0285
Trichomonas vaginalis cyclin D, putative 0.0038 0.0243 0.0688
Entamoeba histolytica cell division protein kinase 2, putative 0.0054 0.0531 0.2014
Loa Loa (eye worm) hypothetical protein 0.0058 0.0606 0.0397
Loa Loa (eye worm) hypothetical protein 0.0058 0.0606 0.0397
Loa Loa (eye worm) cyclin domain-containing protein 0.0038 0.0243 0.0026
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0054 0.0531 1
Echinococcus multilocularis cyclin B 0.006 0.0641 0.1504
Echinococcus multilocularis cyclin dependent kinase 5 0.0054 0.0531 0.1246
Trypanosoma brucei cdc2-related kinase 1 0.0054 0.0531 0.6956
Loa Loa (eye worm) hypothetical protein 0.006 0.0641 0.0432
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0934 0.336
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.0347 0.0406
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.004 0.028 0.0426
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0059 0.0622 0.146
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.004 0.028 0.0925
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0119 0.1671 1
Echinococcus multilocularis cyclins 0.0038 0.0243 0.0571
Loa Loa (eye worm) hypothetical protein 0.0058 0.0606 0.0397
Echinococcus multilocularis cyclins 0.0038 0.0243 0.0571
Loa Loa (eye worm) TK protein kinase 0.0134 0.1932 0.1753
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0531 0.2155
Echinococcus granulosus twitchin 0.0067 0.076 0.0889
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0058 0.0606 0.1473
Brugia malayi Cyclin, N-terminal domain containing protein 0.006 0.0641 0.1933
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.004 0.028 0.0925
Trichomonas vaginalis cyclins, putative 0.006 0.0641 0.3281
Echinococcus granulosus cyclin dependent kinase 1 0.0054 0.0531 0.0621
Echinococcus granulosus cyclins 0.0038 0.0243 0.0285
Loa Loa (eye worm) hypothetical protein 0.0067 0.0752 0.0546
Trypanosoma cruzi cyclin 6, putative 0.006 0.0641 0.2911
Echinococcus granulosus tyrosine protein kinase Lyn 0.0061 0.0662 0.0774
Loa Loa (eye worm) hypothetical protein 0.0058 0.0606 0.0397
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0054 0.0531 0.0621
Brugia malayi SRC-1 0.0059 0.0622 0.1843
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0095 0.1244 0.7009
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0507 0.185
Plasmodium vivax protein kinase Crk2 0.0054 0.0531 0.5
Schistosoma mansoni cyclin B3 0.0038 0.0243 0.0591
Schistosoma mansoni nephrin 0.0065 0.0721 0.1751
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0223 0.3511 0.8241
Schistosoma mansoni tyrosine kinase 0.0059 0.0622 0.1512
Echinococcus granulosus tyrosine protein kinase Src64B 0.0059 0.0622 0.0728
Echinococcus multilocularis cyclins 0.0038 0.0243 0.0571
Schistosoma mansoni tyrosine kinase 0.0127 0.1818 0.4417
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0531 0.2564
Echinococcus granulosus tyrosine protein kinase HCK 0.0043 0.0337 0.0394
Echinococcus granulosus tyrosine protein kinase Fyn 0.0059 0.0622 0.0728
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.006 0.0641 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0058 0.0606 0.1766
Entamoeba histolytica cell division protein kinase 2, putative 0.0054 0.0531 0.2014
Loa Loa (eye worm) hypothetical protein 0.0077 0.0934 0.0732
Echinococcus granulosus cyclin b3 0.0038 0.0243 0.0285
Leishmania major cyclin 0.006 0.0641 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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