Detailed information for compound 502146

Basic information

Technical information
  • TDR Targets ID: 502146
  • Name: 6-[(5E)-5-(naphthalen-1-ylmethylidene)-4-oxo- 2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
  • MW: 385.5 | Formula: C20H19NO3S2
  • H donors: 1 H acceptors: 3 LogP: 4.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCCN1C(=S)S/C(=C/c2cccc3c2cccc3)/C1=O
  • InChi: 1S/C20H19NO3S2/c22-18(23)11-2-1-5-12-21-19(24)17(26-20(21)25)13-15-9-6-8-14-7-3-4-10-16(14)15/h3-4,6-10,13H,1-2,5,11-12H2,(H,22,23)/b17-13+
  • InChiKey: PKMHMWGVNCYMTB-GHRIWEEISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[(5E)-5-(1-naphthylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid
  • 6-[(5E)-5-(1-naphthalenylmethylene)-4-oxo-2-thioxo-3-thiazolidinyl]hexanoic acid
  • 6-[(5E)-4-keto-5-(1-naphthylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoic acid
  • 6-[(5E)-5-(1-naphthylmethylene)-4-oxo-2-thioxo-3-thiazolidinyl]hexanoic acid
  • T0513-9045

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens free fatty acid receptor 1 Starlite/ChEMBL References

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
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0088 1 1
Schistosoma mansoni flap endonuclease-1 0.0076 0.7994 0.9811
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0088 1 1
Plasmodium falciparum DNA repair protein RAD2, putative 0.0077 0.8148 0.8148
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0088 1 1
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0077 0.8148 0.8148
Loa Loa (eye worm) hypothetical protein 0.0077 0.8148 0.8148
Giardia lamblia Flap structure-specific endonuclease 0.0088 1 1
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0077 0.8148 0.8148
Entamoeba histolytica DNA-repair protein, putative 0.0077 0.8148 0.8148
Loa Loa (eye worm) flap endonuclease-1 0.0088 1 1
Entamoeba histolytica Flap nuclease, putative 0.0088 1 1
Echinococcus multilocularis flap endonuclease 1 0.0088 1 1
Brugia malayi XPG N-terminal domain containing protein 0.0063 0.591 0.591
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0088 1 1
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0077 0.8148 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0077 0.8148 0.8148
Echinococcus granulosus flap endonuclease 1 0.0088 1 1
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0077 0.8148 0.8148
Plasmodium vivax flap endonuclease 1, putative 0.0088 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0088 1 1
Plasmodium falciparum flap endonuclease 1 0.0088 1 1
Plasmodium vivax DNA repair protein RAD2, putative 0.0077 0.8148 0.8148

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 100 % Activity at FFAR1 (unknown origin) expressed in HEK-EM293 cells assessed as calcium influx relative to GW9508 by FLIPR assay ChEMBL. 18193825
Activity (binding) = 100 % Activity at FFAR1 (unknown origin) expressed in HEK-EM293 cells assessed as calcium influx relative to GW9508 by FLIPR assay ChEMBL. 18193825
EC50 (functional) = 12.2 uM Agonist activity at FFAR1 (unknown origin) expressed in HEK-EM293 cells assessed as calcium influx by FLIPR assay ChEMBL. 18193825
EC50 (functional) = 12.2 uM Agonist activity at FFAR1 (unknown origin) expressed in HEK-EM293 cells assessed as calcium influx by FLIPR assay ChEMBL. 18193825

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

1 literature reference was collected for this gene.

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