Detailed information for compound 937463

Basic information

Technical information
  • TDR Targets ID: 937463
  • Name: (6R)-3-(acetyloxymethyl)-7-(dichloromethylide ne)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene -2-carboxylic acid
  • MW: 338.164 | Formula: C11H9Cl2NO5S
  • H donors: 1 H acceptors: 4 LogP: 0.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)C(=C(Cl)Cl)C2=O
  • InChi: 1S/C11H9Cl2NO5S/c1-4(15)19-2-5-3-20-10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/t10-/m1/s1
  • InChiKey: SPOYTMWGOMJDIX-SNVBAGLBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6R)-3-(acetoxymethyl)-7-(dichloromethylene)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R)-3-(acetoxymethyl)-7-(dichloromethylene)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0039 0.1461 0.1461
Trypanosoma cruzi Protein kinase B 0.0004 0.0000072064 0.5
Brugia malayi PXA domain containing protein 0.0039 0.1461 0.1461
Brugia malayi A-kinase anchor protein 10, precursor 0.0039 0.1461 0.1461
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0039 0.1461 0.1461
Entamoeba histolytica hypothetical protein 0.0039 0.1461 1
Brugia malayi Plexin repeat family protein 0.0011 0.0267 0.0267
Schistosoma mansoni serine/threonine protein kinase 0.0182 0.762 0.762
Leishmania major protein kinase, putative 0.0004 0.0000072064 0.5
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0004 0.0000072064 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0039 0.1461 0.1751
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0182 0.762 0.762
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0004 0.0000072064 0.5
Brugia malayi hypothetical protein 0.0039 0.1461 0.1461
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0004 0.0000072064 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.1461 0.1461
Leishmania major folate/biopterin transporter, putative 0.0004 0.0000072064 0.5
Schistosoma mansoni regulator of G protein signaling 0.0039 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.0039 0.1461 0.1461
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0004 0.0000072064 0.5
Schistosoma mansoni regulator of G protein signaling 0.0039 0.1461 0.1461
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0004 0.0000072064 0.5
Schistosoma mansoni regulator of G protein signaling 0.0039 0.1461 0.1461
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0004 0.0000072064 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.1461 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0039 0.1461 0.1751
Loa Loa (eye worm) hypothetical protein 0.0039 0.1461 0.1461
Echinococcus multilocularis rac serine:threonine kinase 0.0004 0.0000072064 0.0000086331
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0039 0.1461 0.1461
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0004 0.0000072064 0.5
Schistosoma mansoni plexin 0.0011 0.0267 0.0267
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0199 0.8347 1
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0039 0.1461 0.1751
Leishmania major serine/threonine-protein kinase a, putative 0.0004 0.0000072064 0.5
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0004 0.0000072064 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0267 0.0267
Trypanosoma brucei rac serine-threonine kinase, putative 0.0004 0.0000072064 0.5
Schistosoma mansoni z-protein (S1r protein) 0.0039 0.1461 0.1461
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1461 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0199 0.8347 0.8347
Brugia malayi regulator of G-protein signaling egl-10 0.0039 0.1461 0.1461
Entamoeba histolytica hypothetical protein 0.0039 0.1461 1
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.0004 0.0000072064 0.5
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0144 0.5968 0.7149
Schistosoma mansoni regulator of G protein signaling 0.0039 0.1461 0.1461
Schistosoma mansoni axis inhibition protein axin 0.0039 0.1461 0.1461
Echinococcus multilocularis regulator of G protein signaling 7 0.0039 0.1461 0.1751
Echinococcus multilocularis expressed protein 0.0039 0.1461 0.1751
Brugia malayi regulator of G-protein signaling rgs-7 0.0039 0.1461 0.1461
Echinococcus granulosus Regulator of G protein signaling 20 0.0039 0.1461 0.1751
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1461 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0039 0.1461 0.1751
Brugia malayi PXA domain containing protein 0.0039 0.1461 0.1461
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0039 0.1461 0.1461
Echinococcus granulosus regulator of G protein signaling 7 0.0039 0.1461 0.1751
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0004 0.0000072064 0.5
Echinococcus granulosus expressed protein 0.0039 0.1461 0.1751
Echinococcus multilocularis axis inhibition protein axin 0.0039 0.1461 0.1751
Brugia malayi Protein kinase domain containing protein 0.0004 0.0000072064 0.0000072064
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0004 0.0000072064 0.5
Trypanosoma cruzi NIMA-related kinase, putative 0.0004 0.0000072064 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1461 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0039 0.1461 0.1461
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0004 0.0000072064 0.5
Echinococcus multilocularis Regulator of G protein signaling 20 0.0039 0.1461 0.1751
Schistosoma mansoni serine/threonine-protein kinase 0.0004 0.0000072064 0.0000072064
Echinococcus granulosus axis inhibition protein axin 0.0039 0.1461 0.1751
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0004 0.0000072064 0.5
Schistosoma mansoni axis inhibition protein axin 0.0039 0.1461 0.1461
Echinococcus multilocularis axis inhibition protein axin 0.0039 0.1461 0.1751
Echinococcus multilocularis regulator of G protein signaling 3 0.0039 0.1461 0.1751
Schistosoma mansoni regulator of G protein signaling 0.0039 0.1461 0.1461
Schistosoma mansoni plexin 0.0006 0.0075 0.0075
Echinococcus granulosus regulator of G protein signaling 3 0.0039 0.1461 0.1751
Toxoplasma gondii protein kinase domain-containing protein 0.0004 0.0000072064 0.5
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0039 0.1461 0.1751
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0004 0.0000072064 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.0004 0.0000072064 0.0000072064
Trypanosoma cruzi NIMA-related kinase, putative 0.0004 0.0000072064 0.5
Echinococcus multilocularis regulator of G protein signaling 0.0039 0.1461 0.1751
Echinococcus granulosus beta-adrenergic receptor kinase 0.0182 0.762 0.9129
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0004 0.0000072064 0.5
Loa Loa (eye worm) RGS-3 protein 0.0039 0.1461 0.1461
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0199 0.8347 0.8347
Loa Loa (eye worm) plexin A 0.0013 0.035 0.035
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0004 0.0000072064 0.5
Echinococcus granulosus plexin a4 0.0013 0.035 0.042
Schistosoma mansoni serine/threonine protein kinase 0.0238 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0075 0.0075
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0199 0.8347 0.8347
Echinococcus granulosus regulator of G protein signaling 3 0.0039 0.1461 0.1751
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1461 1
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0039 0.1461 1
Loa Loa (eye worm) PXA domain-containing protein 0.0039 0.1461 0.1461
Echinococcus multilocularis beta adrenergic receptor kinase 0.0182 0.762 0.9129
Loa Loa (eye worm) hypothetical protein 0.0039 0.1461 0.1461
Schistosoma mansoni serine/threonine protein kinase 0.0182 0.762 0.762
Echinococcus multilocularis plexin a4 0.0013 0.035 0.042
Brugia malayi plexin A 0.0013 0.035 0.035
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0238 1 1
Brugia malayi hypothetical protein 0.0039 0.1461 0.1461
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1461 1
Onchocerca volvulus 0.0011 0.0267 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1461 0.1461
Echinococcus granulosus serine/threonine protein kinase 0.0004 0.0000072064 0.0000086331
Echinococcus granulosus G protein coupled receptor kinase 1 0.0144 0.5968 0.7149
Brugia malayi Regulator of G protein signaling domain containing protein 0.0039 0.1461 0.1461
Trypanosoma brucei protein kinase, putative 0.0004 0.0000072064 0.5
Echinococcus granulosus axis inhibition protein axin 0.0039 0.1461 0.1751
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0199 0.8347 1
Plasmodium falciparum calcium-dependent protein kinase 7 0.0004 0.0000072064 0.5
Schistosoma mansoni hypothetical protein 0.0006 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0039 0.1461 0.1461
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0004 0.0000072064 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0004 0.0000072064 0.0000072064
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1461 1
Leishmania major protein kinase, putative 0.0004 0.0000072064 0.5

Activities

No activities found for this compound.

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.

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