Detailed information for compound 1494838

Basic information

Technical information
  • TDR Targets ID: 1494838
  • Name: ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(1-phenylethyl amino)ethyl]-1,3-thiazolidin-2-ylidene]acetat e
  • MW: 348.417 | Formula: C17H20N2O4S
  • H donors: 1 H acceptors: 3 LogP: 1.85 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C=C/1\SCC(=O)N1CC(=O)NC(c1ccccc1)C
  • InChi: 1S/C17H20N2O4S/c1-3-23-17(22)9-16-19(15(21)11-24-16)10-14(20)18-12(2)13-7-5-4-6-8-13/h4-9,12H,3,10-11H2,1-2H3,(H,18,20)/b16-9-
  • InChiKey: VBVDASHDENXCHT-SXGWCWSVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
  • ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]thiazolidin-2-ylidene]acetate
  • ethyl 2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]thiazolidin-2-ylidene]acetate
  • (2Z)-2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-2-thiazolidinylidene]acetic acid ethyl ester
  • 2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-2-thiazolidinylidene]acetic acid ethyl ester
  • (2Z)-2-[4-keto-3-[2-keto-2-(1-phenylethylamino)ethyl]thiazolidin-2-ylidene]acetic acid ethyl ester
  • 2-[4-keto-3-[2-keto-2-(1-phenylethylamino)ethyl]thiazolidin-2-ylidene]acetic acid ethyl ester
  • ethyl 2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazolidin-2-ylidene]ethanoate
  • ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazolidin-2-ylidene]ethanoate
  • MLS000335371
  • SMR000250120
  • T0519-3529

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei epsilon tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Leishmania major alpha tubulin 0.0014 0 0.5
Giardia lamblia Beta tubulin 0.0014 0 0.5
Giardia lamblia Alpha-tubulin 0.0014 0 0.5
Brugia malayi RNA binding protein 0.0076 0.2456 0.2456
Leishmania major beta tubulin 0.0014 0 0.5
Trypanosoma cruzi alpha tubulin, putative 0.0014 0 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0394 0.1603
Giardia lamblia Gamma tubulin 0.0014 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2456 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1622 0.6603
Leishmania major alpha tubulin 0.0014 0 0.5
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0269 1 1
Trypanosoma brucei beta tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Trypanosoma brucei tubulin gamma chain 0.0014 0 0.5
Giardia lamblia Alpha-tubulin 0.0014 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2456 1
Leishmania major alpha tubulin 0.0014 0 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0024 0.0394 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2456 1
Trypanosoma brucei alpha tubulin 0.0014 0 0.5
Entamoeba histolytica tubulin alpha chain, putative 0.0014 0 0.5
Trypanosoma cruzi beta tubulin, putative 0.0014 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1622 0.6603
Leishmania major beta tubulin 0.0014 0 0.5
Leishmania major alpha tubulin 0.0014 0 0.5
Leishmania major alpha tubulin 0.0014 0 0.5
Trypanosoma brucei alpha tubulin 0.0014 0 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0394 0.1603
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1622 0.1622
Leishmania major alpha tubulin 0.0014 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2456 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1622 0.6603
Leishmania major beta tubulin 0.0014 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2456 1
Leishmania major alpha tubulin 0.0014 0 0.5
Trypanosoma brucei epsilon tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0024 0.0394 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0024 0.0394 0.1603
Trypanosoma brucei alpha tubulin 0.0014 0 0.5
Trypanosoma brucei beta tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Trypanosoma brucei beta tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Entamoeba histolytica tubulin alpha-1 chain 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Trypanosoma brucei beta tubulin 0.0014 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2456 1
Leishmania major beta tubulin 0.0014 0 0.5
Trypanosoma brucei beta tubulin 0.0014 0 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0024 0.0394 1
Leishmania major beta tubulin 0.0014 0 0.5
Entamoeba histolytica tubulin gamma chain 0.0014 0 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0024 0.0394 0.5
Leishmania major alpha tubulin 0.0014 0 0.5
Plasmodium falciparum ornithine aminotransferase 0.0024 0.0394 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1622 0.6603
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2456 1
Leishmania major alpha tubulin 0.0014 0 0.5
Leishmania major gamma-tubulin 0.0014 0 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0024 0.0394 0.5
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0024 0.0394 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2456 0.2456
Leishmania major beta tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Echinococcus multilocularis Aminotransferase class III 0.0024 0.0394 0.1603
Mycobacterium ulcerans L-lysine aminotransferase 0.0269 1 1
Giardia lamblia Beta tubulin 0.0014 0 0.5
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0024 0.0394 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0024 0.0394 1
Leishmania major beta tubulin 0.0014 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.2456 0.2456
Leishmania major alpha tubulin 0.0014 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.2456 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1622 0.6603
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2456 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.2456 1
Trypanosoma cruzi epsilon tubulin, putative 0.0014 0 0.5
Giardia lamblia Beta tubulin 0.0014 0 0.5
Leishmania major epsilon tubulin, putative 0.0014 0 0.5
Trypanosoma brucei alpha tubulin 0.0014 0 0.5
Echinococcus granulosus ornithine aminotransferase 0.0024 0.0394 0.1603
Leishmania major alpha tubulin 0.0014 0 0.5
Entamoeba histolytica tubulin family protein 0.0014 0 0.5
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0024 0.0394 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1622 0.6603
Leishmania major beta tubulin 0.0014 0 0.5
Leishmania major beta tubulin 0.0014 0 0.5
Leishmania major alpha tubulin 0.0014 0 0.5
Trypanosoma brucei epsilon tubulin 0.0014 0 0.5
Trypanosoma cruzi epsilon tubulin, putative 0.0014 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1622 0.6603
Trypanosoma cruzi tubulin gamma chain 0.0014 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1622 0.6603
Echinococcus granulosus Aminotransferase class III 0.0024 0.0394 0.1603
Entamoeba histolytica tubulin family protein 0.0014 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 37.933 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference

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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