Detailed information for compound 937429

Basic information

Technical information
  • TDR Targets ID: 937429
  • Name: (6R,7Z)-3-(acetyloxymethyl)-8-oxo-7-(2-oxoeth ylidene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene- 2-carboxylic acid
  • MW: 297.284 | Formula: C12H11NO6S
  • H donors: 1 H acceptors: 5 LogP: -1.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C/C=C\1/C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C
  • InChi: 1S/C12H11NO6S/c1-6(15)19-4-7-5-20-11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2-3,11H,4-5H2,1H3,(H,17,18)/b8-2-/t11-/m1/s1
  • InChiKey: FJJSTWQDAAUCMC-GPWUBDCCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6R,7Z)-3-(acetoxymethyl)-8-oxo-7-(2-oxoethylidene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7Z)-3-(acetoxymethyl)-8-keto-7-(2-ketoethylidene)-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
Echinococcus granulosus neuroglian 0.0025 0.0038 0.0013
Schistosoma mansoni tyrosine kinase 0.0413 0.3629 0.3629
Schistosoma mansoni glycogen phosphorylase 0.0138 0.1082 0.1082
Brugia malayi Furin-like cysteine rich region family protein 0.0593 0.529 0.5275
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.012 0.0913 0.0851
Schistosoma mansoni tyrosine kinase 0.0593 0.529 0.529
Trypanosoma brucei carbonic anhydrase-like protein 0.1101 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0552 0.4912 0.4912
Onchocerca volvulus Dual oxidase homolog 0.0061 0.0374 0.0489
Echinococcus multilocularis 0.0331 0.2867 0.284
Echinococcus granulosus carbonic anhydrase 0.0552 0.4912 0.4899
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0028 0.0068 0.0035
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0029 0.0072 0.003
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0029 0.0072 0.003
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1101 1 1
Leishmania major carbonic anhydrase-like protein 0.1101 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1101 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0194 0.1598 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0593 0.529 0.5279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0028 0.0068 0.0031
Loa Loa (eye worm) hypothetical protein 0.0025 0.0033 0.0008
Loa Loa (eye worm) carbonic anhydrase 3 0.1101 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0311 0.0287
Brugia malayi Protein kinase domain containing protein 0.0188 0.1549 0.1521
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0055 0.0311 0.0311
Echinococcus multilocularis carbonic anhydrase 0.0552 0.4912 0.4892
Schistosoma mansoni tyrosine kinase 0.0421 0.3703 0.3703
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1101 1 1
Echinococcus granulosus glycogen phosphorylase 0.0138 0.1082 0.106
Echinococcus granulosus carbonic anhydrase 0.0552 0.4912 0.4899
Entamoeba histolytica glycogen phosphorylase, putative 0.0138 0.1082 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0552 0.4912 0.4895
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1101 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0421 0.3703 0.3687
Brugia malayi Immunoglobulin I-set domain containing protein 0.021 0.1751 0.1723
Entamoeba histolytica glycogen phosphorylase, putative 0.0138 0.1082 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0552 0.4912 0.4895
Schistosoma mansoni cell adhesion molecule 0.003 0.0087 0.0087
Schistosoma mansoni carbonic anhydrase-related 0.0552 0.4912 0.4912
Schistosoma mansoni glycogen phosphorylase 0.0138 0.1082 0.1082
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0029 0.0072 0.003
Schistosoma mansoni glycogen phosphorylase 0.006 0.0358 0.0358
Brugia malayi carbohydrate phosphorylase 0.0138 0.1082 0.1053
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0421 0.3703 0.3687
Loa Loa (eye worm) hypothetical protein 0.0025 0.0033 0.0008
Mycobacterium leprae Probable transmembrane transport protein 0.0185 0.1522 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0138 0.1082 0.1049
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0028 0.0068 0.0043
Echinococcus multilocularis carbonic anhydrase 0.0552 0.4912 0.4892
Loa Loa (eye worm) hypothetical protein 0.0055 0.0311 0.0287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0028 0.0068 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.0068 0.0068
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1101 1 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0195 0.1611 0.1591
Echinococcus multilocularis insulin receptor 0.0188 0.1549 0.1517
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0224 0.1881 0.2334
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0028 0.0068 0.0043
Echinococcus granulosus insulin receptor 0.0188 0.1549 0.1528
Schistosoma mansoni tyrosine kinase 0.0421 0.3703 0.3703
Loa Loa (eye worm) hypothetical protein 0.0552 0.4912 0.4899
Loa Loa (eye worm) TK/INSR protein kinase 0.0188 0.1549 0.1528
Echinococcus multilocularis epidermal growth factor receptor 0.0593 0.529 0.5273
Echinococcus multilocularis epidermal growth factor receptor 0.0421 0.3703 0.3679
Schistosoma mansoni tyrosine kinase 0.0188 0.1549 0.1549
Schistosoma mansoni tyrosine kinase 0.0188 0.1549 0.1549
Loa Loa (eye worm) hypothetical protein 0.0552 0.4912 0.4899
Schistosoma mansoni hypothetical protein 0.0552 0.4912 0.4912
Toxoplasma gondii hypothetical protein 0.0552 0.4912 1
Schistosoma mansoni carbonic anhydrase 0.0552 0.4912 0.4912
Loa Loa (eye worm) TK/KIN16 protein kinase 0.021 0.1751 0.173
Echinococcus multilocularis carbonic anhydrase II 0.1101 1 1
Onchocerca volvulus 0.0161 0.1292 0.7619
Loa Loa (eye worm) hypothetical protein 0.0552 0.4912 0.4899
Echinococcus multilocularis glycogen phosphorylase 0.0138 0.1082 0.1049
Brugia malayi Cation transporter family protein 0.0055 0.0311 0.0279
Brugia malayi Blistered cuticle protein 3 0.0061 0.0374 0.0342
Schistosoma mansoni serine/threonine protein kinase 0.0285 0.2447 0.2447
Entamoeba histolytica glycogen phosphorylase, putative 0.006 0.0358 0.2107
Echinococcus granulosus epidermal growth factor receptor 0.0593 0.529 0.5279
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1101 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0055 0.0311 0.0311
Schistosoma mansoni tyrosine kinase 0.0413 0.3629 0.3629
Onchocerca volvulus 0.0178 0.1457 0.8907
Echinococcus granulosus raf serine:threonine protein kinase 0.0285 0.2447 0.2429
Echinococcus granulosus glycogen phosphorylase 0.0138 0.1082 0.106
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0552 0.4912 0.4895
Leishmania major carbonic anhydrase family protein, putative 0.0039 0.0164 0.0092
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0165 0.133 0.1308
Loa Loa (eye worm) raf kinase 0.0277 0.2373 0.2354
Schistosoma mansoni carbonic anhydrase 0.0039 0.0164 0.0164
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0552 0.4912 0.4899
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0765 0.6884 1
Schistosoma mansoni tyrosine kinase 0.0413 0.3629 0.3629
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0067
Echinococcus multilocularis carbonic anhydrase 0.0552 0.4912 0.4892
Mycobacterium ulcerans epoxide hydrolase EphA 0.012 0.0913 0.121
Mycobacterium ulcerans carbonic anhydrase 0.0039 0.0164 0.0169
Echinococcus multilocularis glycogen phosphorylase 0.0138 0.1082 0.1049
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0185 0.1522 0.1784
Echinococcus granulosus twitchin 0.0025 0.0038 0.0013
Echinococcus granulosus roundabout 2 0.0038 0.0154 0.0129
Brugia malayi Raf kinase 0.0276 0.2357 0.2332
Onchocerca volvulus Putative sulfate transporter 0.0161 0.1292 0.7619
Echinococcus granulosus carbonic anhydrase 0.0552 0.4912 0.4899
Mycobacterium ulcerans carbonic anhydrase 0.0804 0.7243 1
Entamoeba histolytica glycogen phosphorylase, putative 0.006 0.0358 0.2107
Entamoeba histolytica glycogenphosphorylase, putative 0.006 0.0358 0.2107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.0068 0.0068
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0552 0.4912 0.4895
Loa Loa (eye worm) hypothetical protein 0.0033 0.0107 0.0083
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0195 0.1611 0.158
Giardia lamblia Glycogen phosphorylase 0.0138 0.1082 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0061 0.0374 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0804 0.7243 1
Echinococcus granulosus Glycosyl transferase family 35 0.0138 0.1082 0.106
Schistosoma mansoni nephrin 0.0032 0.01 0.01
Onchocerca volvulus Glycogen phosphorylase homolog 0.0138 0.1082 0.5993
Plasmodium falciparum carbonic anhydrase 0.0552 0.4912 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.006 0.0358 0.0438
Plasmodium vivax sulfate transporter, putative 0.0026 0.0042 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0804 0.7243 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0276 0.0252
Echinococcus granulosus carbonic anhydrase II 0.1101 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0033 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0031 0.0091 0.0067
Loa Loa (eye worm) glycogen phosphorylase 0.0138 0.1082 0.106
Echinococcus multilocularis raf serine:threonine protein kinase 0.0285 0.2447 0.2419
Chlamydia trachomatis glycogen phosphorylase 0.0138 0.1082 1
Schistosoma mansoni carbonic anhydrase-related 0.0552 0.4912 0.4912
Echinococcus multilocularis roundabout 2 0.0038 0.0154 0.0117
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0552 0.4912 0.4895
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0028 0.0068 0.0031

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.