Detailed information for compound 578109

Basic information

Technical information
  • TDR Targets ID: 578109
  • Name: 2,2-dimethylpropanoyloxymethyl 3,3-dimethyl-4 ,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]h eptane-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(C1N2C(=O)CC2S(=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
  • InChiKey: OHPVYKXTRACOSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
  • 4,4,7-triketo-3,3-dimethyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloyloxymethyl ester
  • sulbactam pivoxyl
  • 69388-79-0
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S-cis)-
  • CP 47904
  • Hydroxymethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate pivalate (ester), 4,4-dioxide
  • Pivsulbactam
  • SULBACTAM PIVOXIL
  • Sulbactam pivoxil [USAN]

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens androgen receptor Starlite/ChEMBL No references
Homo sapiens jun proto-oncogene Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0268 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.3332 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.113 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.74 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (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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