Detailed information for compound 1370075

Basic information

Technical information
  • TDR Targets ID: 1370075
  • Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 5-oxo-1-( 4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carbo xylate
  • MW: 434.507 | Formula: C24H22N2O4S
  • H donors: 0 H acceptors: 4 LogP: 4.01 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)c1scc(n1)c1ccccc1)OCC(=O)c1ccc(c(c1)C)C
  • InChi: 1S/C24H22N2O4S/c1-15-8-9-18(10-16(15)2)21(27)13-30-23(29)19-11-22(28)26(12-19)24-25-20(14-31-24)17-6-4-3-5-7-17/h3-10,14,19H,11-13H2,1-2H3
  • InChiKey: OINDSFYJIJKBMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 5-oxo-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylate
  • 5-oxo-1-(4-phenyl-2-thiazolyl)-3-pyrrolidinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester
  • 5-keto-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester
  • [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
  • STK264719
  • SMR000164242
  • 2-(3,4-dimethylphenyl)-2-oxoethyl 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-3-pyrrolidinecarboxylate
  • MLS000538113
  • AK-918/42829271

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 0.0031 0.4283 0.6922
Loa Loa (eye worm) RNA binding protein 0.0056 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0029 0.3802 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0031 0.429 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.6187 1
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.6187 0.6187
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0039 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.2385 0.3855
Loa Loa (eye worm) hypothetical protein 0.0022 0.21 0.21
Brugia malayi hypothetical protein 0.0022 0.21 0.21
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.3802 0.6145
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0039 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.3802 0.6145
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0039 0.6187 0.6187
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0039 0.6187 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.21 0.5
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0031 0.429 0.6934
Leishmania major hypothetical protein, conserved 0.0022 0.21 0.3393
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0019 0.1281 0.207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.1905 0.3078
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.1897 0.3066
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0039 0.6187 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0039 0.6187 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.21 0.3393
Loa Loa (eye worm) TAR-binding protein 0.0056 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0039 0.6187 0.6187
Echinococcus granulosus tar DNA binding protein 0.0056 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0039 0.6187 1
Brugia malayi RNA recognition motif domain containing protein 0.0056 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.21 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0039 0.6187 0.6187
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.2441 0.3945
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.21 0.3393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.2441 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.1905 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.2921 0.4722
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0039 0.6187 0.5
Giardia lamblia GTOR 0.0039 0.6187 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.4283 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.3802 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.4283 0.6922
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.6187 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.1897 0.3066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.3802 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.3122 0.5047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.4283 0.6922
Brugia malayi TAR-binding protein 0.0056 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.2385 0.3855
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.21 0.3393
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0031 0.429 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.1905 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.3802 0.6145
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0016 0.0745 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.1897 0.3066
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0039 0.6187 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.3802 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.3802 0.6145
Echinococcus multilocularis tar DNA binding protein 0.0056 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0056 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.4283 0.6922
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.4826 0.78
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.2441 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.1905 0.3078
Brugia malayi hypothetical protein 0.0014 0.0249 0.0249
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.21 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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