Detailed information for compound 1678820

Basic information

Technical information
  • TDR Targets ID: 1678820
  • Name: 2-(3-chloro-4-methylsulfonylphenyl)-3-(3-oxoc yclopentyl)-N-pyrazin-2-ylpropanamide
  • MW: 421.898 | Formula: C19H20ClN3O4S
  • H donors: 1 H acceptors: 6 LogP: 1.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(C1)CC(c1ccc(c(c1)Cl)S(=O)(=O)C)C(=O)Nc1cnccn1
  • InChi: 1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)
  • InChiKey: XEANIURBPHCHMG-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(3-chloro-4-methylsulfonyl-phenyl)-3-(3-oxocyclopentyl)-N-pyrazin-2-yl-propanamide
  • 2-(3-chloro-4-methylsulfonylphenyl)-3-(3-oxocyclopentyl)-N-(2-pyrazinyl)propanamide
  • 2-(3-chloro-4-mesyl-phenyl)-3-(3-ketocyclopentyl)-N-pyrazin-2-yl-propionamide

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 hexokinase 0.0192 1 1
Trypanosoma brucei hexokinase 0.0192 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0039 0.0039
Trypanosoma cruzi hexokinase, putative 0.0192 1 0.5
Onchocerca volvulus 0.0073 0.3395 0.3395
Toxoplasma gondii hexokinase 0.0192 1 0.5
Entamoeba histolytica hexokinase 2 0.0192 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.1795 0.1795
Trypanosoma brucei hexokinase 0.0192 1 0.5
Brugia malayi Hexokinase family protein 0.006 0.2626 0.2626
Onchocerca volvulus 0.0192 1 1
Schistosoma mansoni hypothetical protein 0.0082 0.3897 0.3897
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Onchocerca volvulus Peroxidase homolog 0.0073 0.3395 0.3395
Brugia malayi Animal haem peroxidase family protein 0.0073 0.3395 0.3395
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Treponema pallidum hexokinase (hxk) 0.0192 1 0.5
Onchocerca volvulus Peroxidase homolog 0.0073 0.3395 0.3395
Loa Loa (eye worm) hexokinase 0.006 0.2626 0.2626
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Loa Loa (eye worm) hypothetical protein 0.0039 0.1468 0.1468
Loa Loa (eye worm) hypothetical protein 0.0099 0.4797 0.4797
Onchocerca volvulus 0.0192 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.4951 0.4951
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.2022 0.2022
Onchocerca volvulus 0.0192 1 1
Schistosoma mansoni hexokinase 0.0192 1 1
Onchocerca volvulus Peroxidasin homolog 0.0073 0.3395 0.3395
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.1795 0.1795
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1734 0.1734
Echinococcus granulosus hexokinase 0.0192 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1632 0.5
Echinococcus granulosus peroxidasin 0.0073 0.3395 0.3395
Brugia malayi Animal haem peroxidase family protein 0.0073 0.3395 0.3395
Onchocerca volvulus Peroxidasin homolog 0.0073 0.3395 0.3395
Onchocerca volvulus 0.0073 0.3395 0.3395
Echinococcus granulosus hexokinase 0.0192 1 1
Echinococcus multilocularis hexokinase 0.0192 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0073 0.3395 0.3395
Loa Loa (eye worm) hexokinase 0.0192 1 1
Echinococcus multilocularis hexokinase type 2 0.0192 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Brugia malayi Animal haem peroxidase family protein 0.0073 0.3395 0.3395
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0131 0.6605 0.6605
Trypanosoma brucei hexokinase, putative 0.0192 1 0.5
Brugia malayi hypothetical protein 0.008 0.3743 0.3743
Plasmodium vivax hexokinase, putative 0.0192 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Brugia malayi Peroxidasin 0.0073 0.3395 0.3395
Onchocerca volvulus Dual oxidase homolog 0.0073 0.3395 0.3395
Echinococcus granulosus hexokinase type 2 0.0192 1 1
Leishmania major hexokinase, putative 0.0192 1 0.5
Plasmodium falciparum hexokinase 0.0192 1 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0061 0.2717 0.2717
Brugia malayi hexokinase type II 0.0061 0.2717 0.2717
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.2022 0.2022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0039 0.0039
Onchocerca volvulus 0.0121 0.6021 0.6021
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.1795 0.1795
Onchocerca volvulus Chorion peroxidase homolog 0.0073 0.3395 0.3395
Trypanosoma cruzi hexokinase, putative 0.0192 1 0.5
Brugia malayi hypothetical protein 0.0043 0.1734 0.1734
Echinococcus multilocularis jun protein 0.0101 0.4951 0.4951
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Echinococcus multilocularis hexokinase 0.0192 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.1734 0.1734
Brugia malayi Blistered cuticle protein 3 0.0073 0.3395 0.3395
Entamoeba histolytica hexokinase 1 0.0192 1 1
Loa Loa (eye worm) hexokinase type II 0.0192 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1632 0.5
Schistosoma mansoni jun-related protein 0.0082 0.3897 0.3897
Leishmania major hexokinase, putative 0.0192 1 0.5
Loa Loa (eye worm) hexokinase 0.0192 1 1
Onchocerca volvulus 0.0073 0.3395 0.3395
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0039 0.0039
Loa Loa (eye worm) animal heme peroxidase 0.0073 0.3395 0.3395
Onchocerca volvulus 0.008 0.3743 0.3743
Schistosoma mansoni peroxidasin 0.0073 0.3395 0.3395
Onchocerca volvulus Hexokinase homolog 0.0121 0.6021 0.6021
Echinococcus multilocularis peroxidasin 0.0073 0.3395 0.3395
Brugia malayi Animal haem peroxidase family protein 0.0073 0.3395 0.3395
Loa Loa (eye worm) hexokinase 0.0121 0.6021 0.6021
Loa Loa (eye worm) hypothetical protein 0.0061 0.2717 0.2717
Brugia malayi bZIP transcription factor family protein 0.0101 0.4951 0.4951
Echinococcus granulosus jun protein 0.0101 0.4951 0.4951
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0039 0.0039
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0039 0.0039
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1734 0.1734
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Echinococcus multilocularis hexokinase 0.0192 1 1
Brugia malayi Hexokinase family protein 0.0192 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1734 0.1734
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.1795 0.1795
Loa Loa (eye worm) animal heme peroxidase 0.0073 0.3395 0.3395
Brugia malayi Animal haem peroxidase family protein 0.0073 0.3395 0.3395
Schistosoma mansoni peroxidasin 0.0073 0.3395 0.3395
Loa Loa (eye worm) animal heme peroxidase 0.0073 0.3395 0.3395
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Loa Loa (eye worm) hypothetical protein 0.0073 0.3395 0.3395
Loa Loa (eye worm) animal heme peroxidase 0.0073 0.3395 0.3395
Brugia malayi hypothetical protein 0.0073 0.3395 0.3395
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.4951 0.4951
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0039 0.0039
Brugia malayi Hexokinase family protein 0.0121 0.6021 0.6021

Activities

Activity type Activity value Assay description Source Reference
Drug metabolism (ADMET) = 0.9 % Drug degradation in CD1 mouse liver microsomes assessed as formation of metabolite 4 at 20 uM after 30 mins by LCMS/MS analysis 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

No literature references available for this target.

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