Detailed information for compound 581472

Basic information

Technical information
  • TDR Targets ID: 581472
  • Name: (5R,6R)-3-[(R)-[(E)-2-acetamidovinyl]sulfinyl ]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabic yclo[3.2.0]hept-2-ene-2-carboxylic acid
  • MW: 344.383 | Formula: C14H20N2O6S
  • H donors: 3 H acceptors: 6 LogP: -0.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2[C@H](C1)[C@@H](C2=O)C(O)(C)C
  • InChi: 1S/C14H18N2O6S/c1-7(17)15-4-5-23(22)9-6-8-10(14(2,3)21)12(18)16(8)11(9)13(19)20/h4-5,8,10,21H,6H2,1-3H3,(H,15,17)(H,19,20)/b5-4+/t8-,10+,23-/m1/s1
  • InChiKey: FWWJFXYMDLTDNO-BBCPMLLOSA-N  

Network

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Synonyms

  • (5R,6R)-3-[(R)-[(E)-2-acetamidovinyl]sulfinyl]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R,6R)-3-[(R)-[(E)-2-acetamidoethenyl]sulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R,6R)-3-[(R)-[(E)-2-acetamidovinyl]sulfinyl]-6-(1-hydroxy-1-methyl-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • carpetimycin A
  • 76025-73-5
  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)sulfinyl)-6-(1-hydroxy-1-methylethyl)-7-oxo-, (5R-(3(R*(E)),5alpha,6beta))-
  • C 19393 H(2)
  • C-19393 H(2)

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 Basic leucine zipper bZIP transcription 0.0107 0.0823 0.0891
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.0645 0.5
Echinococcus multilocularis muscleblind protein 0.0144 0.1336 0.1336
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0373 0.443 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1 0.3559
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0301 0.107
Loa Loa (eye worm) hypothetical protein 0.0144 0.1336 0.4754
Schistosoma mansoni hypothetical protein 0.0338 0.3962 0.4286
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0185 0.1888 0.2042
Echinococcus multilocularis geminin 0.0338 0.3962 0.3962
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0029 0.0102
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0093 0.0645 0.2296
Schistosoma mansoni transcription factor LCR-F1 0.0107 0.0823 0.0891
Schistosoma mansoni hypothetical protein 0.0068 0.0301 0.0325
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0045 0.0049
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0373 0.443 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0728 0.9244 1
Entamoeba histolytica hypothetical protein 0.0107 0.0823 0.5
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0093 0.0645 0.0645
Brugia malayi Muscleblind-like protein 0.0144 0.1336 0.4754
Loa Loa (eye worm) hypothetical protein 0.0235 0.2564 0.9126
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.2564 0.2773
Schistosoma mansoni hypothetical protein 0.0107 0.0823 0.0891
Entamoeba histolytica hypothetical protein 0.0107 0.0823 0.5
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0093 0.0645 0.0698
Schistosoma mansoni hypothetical protein 0.0048 0.0029 0.0031
Onchocerca volvulus 0.0049 0.0045 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0102 0.0758 0.1306
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0253 0.2809 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0373 0.443 0.5
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0102 0.0758 0.0298
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.2564 0.2564
Schistosoma mansoni survival motor neuron protein 0.0048 0.0029 0.0031
Plasmodium falciparum enoyl-acyl carrier reductase 0.0373 0.443 1
Echinococcus granulosus muscleblind protein 0.0144 0.1336 0.1445
Echinococcus multilocularis tumor protein p63 0.0336 0.393 0.393
Brugia malayi hypothetical protein 0.0107 0.0823 0.293
Loa Loa (eye worm) hypothetical protein 0.0253 0.2809 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0727 0.2589
Brugia malayi MH2 domain containing protein 0.012 0.1 0.3559
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.0645 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0727 0.2589
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0185 0.1888 0.1888
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0373 0.443 1
Echinococcus granulosus tumor protein p63 0.0336 0.393 0.4251
Brugia malayi glucose-6-phosphate dehydrogenase 0.0093 0.0645 0.2296
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0093 0.0645 0.0698
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0093 0.0645 0.104
Echinococcus granulosus geminin 0.0338 0.3962 0.4286
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0373 0.443 1
Echinococcus multilocularis muscleblind protein 1 0.0144 0.1336 0.1336
Schistosoma mansoni hypothetical protein 0.0338 0.3962 0.4286
Trichomonas vaginalis hypothetical protein 0.0373 0.443 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0301 0.107
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0093 0.0645 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0373 0.443 1
Echinococcus granulosus microtubule associated protein 2 0.0728 0.9244 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1336 0.4754
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0093 0.0645 0.5
Entamoeba histolytica hypothetical protein 0.0107 0.0823 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0728 0.9244 0.9244
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1 0.3559
Brugia malayi hypothetical protein 0.0235 0.2564 0.9126
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0107 0.0823 0.0823
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0373 0.443 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0102 0.0758 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0045 0.016
Entamoeba histolytica hypothetical protein 0.0107 0.0823 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.

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