Detailed information for compound 1337964

Basic information

Technical information
  • TDR Targets ID: 1337964
  • Name: 2-[[2,4-dioxo-3-(phenylmethyl)-1,3-thiazolidi n-5-yl]-phenylamino]acetamide
  • MW: 355.411 | Formula: C18H17N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CN(C1SC(=O)N(C1=O)Cc1ccccc1)c1ccccc1
  • InChi: 1S/C18H17N3O3S/c19-15(22)12-20(14-9-5-2-6-10-14)17-16(23)21(18(24)25-17)11-13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H2,19,22)
  • InChiKey: WWMJBWYJNHKKKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2,4-dioxo-3-(phenylmethyl)thiazolidin-5-yl]-phenyl-amino]acetamide
  • 2-[[2,4-dioxo-3-(phenylmethyl)-5-thiazolidinyl]-phenylamino]acetamide
  • 2-[[3-(benzyl)-2,4-diketo-thiazolidin-5-yl]-phenyl-amino]acetamide
  • 2-[[2,4-dioxo-3-(phenylmethyl)-1,3-thiazolidin-5-yl]-phenyl-amino]ethanamide
  • Oprea1_039214
  • 2-[(3-Benzyl-2,4-dioxo-thiazolidin-5-yl)-phenyl-amino]-acetamide
  • MLS000072036
  • SMR000011910
  • STK003763
  • BAS 03107757
  • Oprea1_748210

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) hypothetical protein 0.0218 0.1251 0.8619
Brugia malayi Pre-SET motif family protein 0.0251 0.1452 1
Leishmania major UDP-galactopyranose mutase 0.0218 0.1251 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0145 0.0145
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0218 0.1251 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0218 0.1251 0.8619
Onchocerca volvulus 0.0036 0.0145 0.0871
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0145 0.0145
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0218 0.1251 0.1251
Trypanosoma cruzi UDP-galactopyranose mutase 0.0218 0.1251 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0218 0.1251 0.1251
Plasmodium vivax hypothetical protein, conserved 0.0218 0.1251 1
Brugia malayi SWIRM domain containing protein 0.0218 0.1251 0.8619
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0218 0.1251 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.1251 0.8619
Trypanosoma cruzi UDP-galactopyranose mutase 0.0218 0.1251 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1663 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 0.1251 0.8619
Brugia malayi hypothetical protein 0.0218 0.1251 0.8619
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0145 0.0167
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0137 0.0158
Echinococcus granulosus lysine specific histone demethylase 1A 0.0218 0.1251 0.1443
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1452 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.1251 0.8619
Onchocerca volvulus 0.0286 0.1663 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.1659 1 1
Echinococcus granulosus protoporphyrinogen oxidase 0.1441 0.8674 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.1659 1 1
Plasmodium vivax hypothetical protein, conserved 0.0218 0.1251 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.1659 1 1
Schistosoma mansoni amine oxidase 0.0218 0.1251 0.1251
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0218 0.1251 0.5
Brugia malayi Pre-SET motif family protein 0.0036 0.0145 0.0997
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0145 0.0145
Brugia malayi amine oxidase, flavin-containing family protein 0.0218 0.1251 0.8619
Onchocerca volvulus 0.0218 0.1251 0.7526
Echinococcus multilocularis 0.0218 0.1251 0.1251
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0218 0.1251 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.1659 1 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0218 0.1251 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0218 0.1251 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0145 0.0145
Echinococcus granulosus lysine specific histone demethylase 1A 0.0218 0.1251 0.1443
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0218 0.1251 0.8619
Schistosoma mansoni amine oxidase 0.0218 0.1251 0.1251
Plasmodium falciparum protoporphyrinogen oxidase 0.0218 0.1251 0.5
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1441 0.8674 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0997

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.