Detailed information for compound 1677954

Basic information

Technical information
  • TDR Targets ID: 1677954
  • Name: 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphe nyl)-N-(1,3-thiazol-2-yl)propanamide
  • MW: 396.499 | Formula: C18H21FN2O3S2
  • H donors: 1 H acceptors: 4 LogP: 3.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccc(c(c1)F)S(=O)(=O)C)CC1CCCC1)Nc1nccs1
  • InChi: 1S/C18H21FN2O3S2/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,21,22)
  • InChiKey: GSPZAFRUOLJTCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-cyclopentyl-2-(3-fluoro-4-methylsulfonyl-phenyl)-N-thiazol-2-yl-propanamide
  • 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
  • 3-cyclopentyl-2-(3-fluoro-4-mesyl-phenyl)-N-thiazol-2-yl-propionamide
  • 3-cyclopentyl-2-(3-fluoro-4-methylsulfonyl-phenyl)-N-(1,3-thiazol-2-yl)propanamide

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
Echinococcus granulosus polycomb protein SCMH1 0.4812 0.2874 0.483
Echinococcus multilocularis histone acetyltransferase MYST2 0.1735 0.0828 0.1392
Schistosoma mansoni myelin transcription factor 1 myt1 0.1735 0.0828 0.0828
Schistosoma mansoni sex comb on midleg homolog 0.4812 0.2874 0.2874
Loa Loa (eye worm) MBCTL1 0.1735 0.0828 0.16
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.6969 0.4308 0.4308
Schistosoma mansoni jumonji/arid domain-containing protein 0.1685 0.0795 0.0795
Schistosoma mansoni jumonji/arid domain-containing protein 0.1685 0.0795 0.0795
Brugia malayi mbt repeat family protein 0.5007 0.3004 0.58
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.1735 0.0828 0.16
Echinococcus granulosus chromobox protein 2 0.3569 0.2047 0.3441
Echinococcus multilocularis histone acetyltransferase myst3 0.0738 0.0165 0.0277
Schistosoma mansoni chromobox protein 0.3569 0.2047 0.2047
Schistosoma mansoni hypothetical protein 0.5926 0.3615 0.3615
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.1735 0.0828 0.1392
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.5926 0.3615 0.6074
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.2066 0.1049 0.1762
Toxoplasma gondii PLU-1 family protein 0.0796 0.0204 1
Echinococcus multilocularis chromobox protein 2 0.3569 0.2047 0.3441
Loa Loa (eye worm) hypothetical protein 0.8278 0.5179 1
Echinococcus multilocularis lysine specific demethylase 5A 0.1404 0.0608 0.1022
Echinococcus granulosus histone acetyltransferase myst3 0.0738 0.0165 0.0277
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.8278 0.5179 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.2066 0.1049 0.1762
Echinococcus granulosus lysine specific demethylase 5A 0.1685 0.0795 0.1336
Plasmodium falciparum JmjC domain-containing protein, putative 0.0527 0.0025 0.5
Brugia malayi jmjC domain containing protein 0.248 0.1324 0.2556
Loa Loa (eye worm) jmjC domain-containing protein 0.248 0.1324 0.2556
Loa Loa (eye worm) hypothetical protein 0.1735 0.0828 0.16
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.1735 0.0828 0.1392
Schistosoma mansoni phd finger protein 0.0738 0.0165 0.0165
Echinococcus granulosus endonuclease exonuclease phosphatase 0.9439 0.5951 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.6969 0.4308 0.7239
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.9439 0.5951 1
Echinococcus granulosus SAM and MBT domain containing protein 0.6969 0.4308 0.7239
Brugia malayi mbt repeat family protein 0.8278 0.5179 1
Schistosoma mansoni sex comb on midleg homolog 0.4812 0.2874 0.2874
Echinococcus granulosus histone acetyltransferase MYST2 0.1735 0.0828 0.1392
Plasmodium vivax JmjC domain containing protein 0.0527 0.0025 0.5
Loa Loa (eye worm) mbt repeat family protein 0.5007 0.3004 0.58
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.5926 0.3615 0.6074
Echinococcus multilocularis polycomb protein SCMH1 0.4812 0.2874 0.483

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.292 uM Activation of human recombinant glucokinase assessed as concentration required for 1.5 fold increase in enzymatic activity ChEMBL. 22809456
IC20 (binding) = 5.8 uM Inhibition of human ERG ChEMBL. 22809456
IC50 (binding) = 23 uM Inhibition of human ERG ChEMBL. 22809456

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.

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