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

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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