Detailed information for compound 1498822

Basic information

Technical information
  • TDR Targets ID: 1498822
  • Name: N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-(3-fl uoro-4-methylphenyl)amino]-2-oxoethyl]thiophe ne-2-carboxamide
  • MW: 417.497 | Formula: C21H24FN3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.38 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(c1ccc(c(c1)F)C)C(=O)CNC(=O)c1cccs1)NC1CCCC1
  • InChi: 1S/C21H24FN3O3S/c1-14-8-9-16(11-17(14)22)25(13-19(26)24-15-5-2-3-6-15)20(27)12-23-21(28)18-7-4-10-29-18/h4,7-11,15H,2-3,5-6,12-13H2,1H3,(H,23,28)(H,24,26)
  • InChiKey: ZDOMHXBKEYLWOF-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-[[2-(cyclopentylamino)-2-oxo-ethyl]-(3-fluoro-4-methyl-phenyl)amino]-2-oxo-ethyl]thiophene-2-carboxamide
  • N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-(3-fluoro-4-methylphenyl)amino]-2-oxoethyl]-2-thiophenecarboxamide
  • N-[2-[[2-(cyclopentylamino)-2-keto-ethyl]-(3-fluoro-4-methyl-phenyl)amino]-2-keto-ethyl]thiophene-2-carboxamide
  • ZINC04875780
  • ASN 05582058

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 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) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4609 0.4609
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4609 0.4609
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4609 0.4609
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4609 0.4609
Schistosoma mansoni transient receptor potential channel 0.0117 1 1
Schistosoma mansoni transient receptor potential channel 4 0.0117 1 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.9469 0.9469
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.9469 0.9469
Brugia malayi Transient-receptor-potential like protein 0.0044 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.4079 0.4079

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 5.956 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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.

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