Detailed information for compound 1529628

Basic information

Technical information
  • TDR Targets ID: 1529628
  • Name: 3-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl ]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dio ne
  • MW: 422.447 | Formula: C23H16F2N2O2S
  • H donors: 0 H acceptors: 2 LogP: 4.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1C(=O)CSC21c1ccccc1N(C2=O)Cc1ccccc1F
  • InChi: 1S/C23H16F2N2O2S/c24-16-9-11-17(12-10-16)27-21(28)14-30-23(27)18-6-2-4-8-20(18)26(22(23)29)13-15-5-1-3-7-19(15)25/h1-12H,13-14H2
  • InChiKey: VCGMUKWXUOTLBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3'-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]spiro[indoline-3,2'-thiazolidine]-2,4'-dione
  • 1-(2-fluorobenzyl)-3'-(4-fluorophenyl)spiro[indoline-3,2'-thiazolidine]-2,4'-quinone
  • NCGC00126176-01
  • E897-0181

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi 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
Schistosoma mansoni tar DNA-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
Brugia malayi TAR-binding protein 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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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) TAR-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
Schistosoma mansoni tar DNA-binding 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hexokinase, putative 0.1006 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0156 0.0156
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0194 0.1585 0.1585
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0181 0.1452 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0156 0.0156
Echinococcus granulosus hexokinase type 2 0.1006 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0181 0.1452 0.5
Entamoeba histolytica hexokinase 1 0.1006 1 0.5
Loa Loa (eye worm) hypothetical protein 0.032 0.2888 0.2888
Echinococcus granulosus tar DNA binding protein 0.0076 0.0366 0.0214
Treponema pallidum hexokinase (hxk) 0.1006 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0686 0.6685 0.6685
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0056 0.0156 0.0156
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0197 0.0197
Toxoplasma gondii hexokinase 0.1006 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0212 0.177 0.177
Loa Loa (eye worm) hexokinase 0.0631 0.6115 0.6115
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0197 0.0197
Brugia malayi hexokinase type II 0.032 0.2888 0.2888
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0194 0.1585 0.1451
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0366 0.0214
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0366 0.0366
Plasmodium vivax hexokinase, putative 0.1006 1 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.0366 0.0366
Brugia malayi Hexokinase family protein 0.0311 0.28 0.28
Onchocerca volvulus 0.1006 1 1
Echinococcus granulosus hexokinase 0.1006 1 1
Brugia malayi Hexokinase family protein 0.1006 1 1
Loa Loa (eye worm) hexokinase 0.1006 1 1
Trypanosoma brucei hexokinase 0.1006 1 0.5
Plasmodium falciparum hexokinase 0.1006 1 0.5
Trypanosoma cruzi hexokinase, putative 0.1006 1 0.5
Brugia malayi TAR-binding protein 0.0076 0.0366 0.0366
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0366 0.0366
Trypanosoma brucei hexokinase, putative 0.1006 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0366 0.0366
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0366 0.0366
Schistosoma mansoni hexokinase 0.1006 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0366 0.0366
Echinococcus multilocularis hexokinase 0.1006 1 1
Echinococcus multilocularis hexokinase 0.1006 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0156 0.0156
Brugia malayi RNA binding protein 0.0076 0.0366 0.0366
Brugia malayi Hexokinase family protein 0.0631 0.6115 0.6115
Onchocerca volvulus 0.1006 1 1
Leishmania major hexokinase, putative 0.1006 1 0.5
Trypanosoma cruzi hexokinase, putative 0.1006 1 0.5
Loa Loa (eye worm) hypothetical protein 0.032 0.2888 0.2888
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0194 0.1585 0.1451
Loa Loa (eye worm) hexokinase type II 0.1006 1 1
Loa Loa (eye worm) hexokinase 0.0311 0.28 0.28
Onchocerca volvulus 0.1006 1 1
Echinococcus granulosus hexokinase 0.1006 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.1319 0.1319
Trypanosoma brucei hexokinase 0.1006 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0366 0.0366
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.006 0.0197 0.0197
Loa Loa (eye worm) hexokinase 0.1006 1 1
Echinococcus multilocularis hexokinase 0.1006 1 1
Echinococcus multilocularis hexokinase type 2 0.1006 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0194 0.1585 0.1585
Echinococcus granulosus hexokinase 0.1006 1 1
Entamoeba histolytica hexokinase 2 0.1006 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0197 0.0197
Schistosoma mansoni voltage-gated potassium channel 0.0212 0.177 0.177
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0366 0.0366

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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