Detailed information for compound 200724

Basic information

Technical information
  • TDR Targets ID: 200724
  • Name: 2,2-dimethylpropanoyloxymethyl (2S,5R)-3,3-di methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo [3.2.0]heptane-2-carboxylate
  • MW: 347.384 | Formula: C14H21NO7S
  • H donors: 0 H acceptors: 5 LogP: 0.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)OCOC(=O)C(C)(C)C
  • InChi: 1S/C14H21NO7S/c1-13(2,3)12(18)22-7-21-11(17)10-14(4,5)23(19,20)9-6-8(16)15(9)10/h9-10H,6-7H2,1-5H3/t9-,10+/m1/s1
  • InChiKey: OHPVYKXTRACOSQ-ZJUUUORDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
  • (2S,5R)-4,4,7-triketo-3,3-dimethyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloyloxymethyl ester
  • sulbactam pivoxyl
  • Pivoxil sulbactam
  • D03706
  • Sulbactam pivoxil (USAN)
  • CP-47904

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
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.017 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0133 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0111 0.8035 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0503 0.0626
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1927 0.1927
Brugia malayi hypothetical protein 0.0043 0.1927 0.2398
Schistosoma mansoni hypothetical protein 0.0043 0.1927 0.1927
Loa Loa (eye worm) hypothetical protein 0.0051 0.2634 0.3277
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1165 0.145
Brugia malayi hypothetical protein 0.008 0.5204 0.6476
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.5733 0.5733
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.017 0.5
Loa Loa (eye worm) glutamate receptor 0.004 0.159 0.1979
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.017 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0111 0.8035 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.3147 0.3147
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.017 0.5
Loa Loa (eye worm) intermediate filament protein 0.006 0.3399 0.423
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.1006 0.1006
Giardia lamblia Kinase, CMGC MAPK 0.0111 0.8035 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0111 0.8035 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.275 0.275
Echinococcus granulosus jun protein 0.0101 0.7175 0.7175
Schistosoma mansoni hypothetical protein 0.0035 0.1165 0.1165
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.2422 0.2422
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0602 0.0602
Schistosoma mansoni lamin 0.006 0.3399 0.3399
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0111 0.8035 0.5
Brugia malayi MAP kinase sur-1 0.0111 0.8035 1
Echinococcus multilocularis lamin dm0 0.006 0.3399 0.3399
Loa Loa (eye worm) hypothetical protein 0.0085 0.5733 0.7134
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.275 0.3422
Brugia malayi intermediate filament protein 0.006 0.3399 0.423
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.5733 0.5733
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1927 0.1927
Onchocerca volvulus 0.0085 0.5733 1
Echinococcus granulosus lamin dm0 0.006 0.3399 0.3399
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.5733 0.7134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.275 0.275
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.159 0.1979
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.7175 0.7175
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0033 0.1006 0.1006
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0111 0.8035 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.2422 0.2422
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0889 0.1106
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0602 0.0602
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.1252 0.1558
Brugia malayi Intermediate filament tail domain containing protein 0.006 0.3399 0.423
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.2083 0.2083
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.275 0.275
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.275 0.275
Echinococcus multilocularis lamin 0.006 0.3399 0.3399
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.017 0.5
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.5733 0.5733
Schistosoma mansoni jun-related protein 0.0082 0.5455 0.5455
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.3147 0.3147
Loa Loa (eye worm) hypothetical protein 0.0049 0.2422 0.3014
Loa Loa (eye worm) hypothetical protein 0.006 0.3399 0.423
Loa Loa (eye worm) hypothetical protein 0.0029 0.0602 0.0749
Schistosoma mansoni jumonji domain containing protein 0.0057 0.3147 0.3147
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0111 0.8035 1
Echinococcus multilocularis mitogen activated protein kinase 0.0111 0.8035 0.8035
Entamoeba histolytica hypothetical protein 0.0043 0.1927 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0111 0.8035 1
Entamoeba histolytica hypothetical protein 0.0043 0.1927 1
Trichomonas vaginalis CMGC family protein kinase 0.0111 0.8035 0.5
Schistosoma mansoni lipoxygenase 0.0133 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0111 0.8035 0.5
Brugia malayi jmjC domain containing protein 0.0057 0.3147 0.3916
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1927 0.1927
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.017 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0111 0.8035 0.5
Echinococcus multilocularis musashi 0.006 0.3399 0.3399
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.3147 0.3147
Onchocerca volvulus 0.006 0.3399 0.5929
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.017 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.275 0.3422
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.2634 0.3277
Echinococcus granulosus mitogen activated protein kinase 3 0.0111 0.8035 0.8035
Echinococcus granulosus lamin 0.006 0.3399 0.3399
Entamoeba histolytica hypothetical protein 0.0043 0.1927 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.3147 0.3916
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0111 0.8035 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.6924 0.8617
Loa Loa (eye worm) hypothetical protein 0.0035 0.1165 0.145
Echinococcus granulosus intermediate filament protein 0.006 0.3399 0.3399
Echinococcus multilocularis jun protein 0.0101 0.7175 0.7175
Entamoeba histolytica hypothetical protein 0.0043 0.1927 1
Schistosoma mansoni hypothetical protein 0.0082 0.5455 0.5455
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.3147 0.3147
Onchocerca volvulus 0.008 0.5204 0.9077
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0889 0.1106
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.2634 0.3277
Echinococcus granulosus metabotropic glutamate receptor 2 0.0033 0.1006 0.1006
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.3147 0.3147
Echinococcus multilocularis mitogen activated protein kinase 3 0.0111 0.8035 0.8035
Trypanosoma brucei protein kinase, putative 0.0111 0.8035 1
Trichomonas vaginalis CMGC family protein kinase 0.0111 0.8035 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.3147 0.3147
Onchocerca volvulus 0.006 0.3399 0.5929
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.275 0.275
Schistosoma mansoni lamin 0.006 0.3399 0.3399
Schistosoma mansoni lipoxygenase 0.0093 0.6387 0.6387
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.2634 0.3277
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.0028 0.0503 0.0626
Brugia malayi jmjC domain containing protein 0.0057 0.3147 0.3916
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.7175 0.7175
Echinococcus granulosus mitogen activated protein kinase 0.0111 0.8035 0.8035
Trichomonas vaginalis CMGC family protein kinase 0.0111 0.8035 0.5
Schistosoma mansoni intermediate filament proteins 0.006 0.3399 0.3399
Mycobacterium leprae conserved hypothetical protein 0.0024 0.017 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.275 0.275
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.017 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.33 0.4107
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.8035 0.8035
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.006 0.3399 0.423
Brugia malayi bZIP transcription factor family protein 0.0101 0.7175 0.893

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 8.5 ug ml-1 hr-1 Area under curve (AUC) of the compound was determined ChEMBL. 2296030
Cmax (ADMET) = 6.2 ug ml-1 Maximum Concentration of the compound. ChEMBL. 2296030
Ratio (ADMET) = 1 Ratio is calculated as AUC of the compound to AUC of sulbactam pivoxil (control) ChEMBL. 2296030
T1/2 (ADMET) = 1.5 hr Half-life period for disappearance of sulbactam from rat. ChEMBL. 2296030

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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