Detailed information for compound 210192

Basic information

Technical information
  • TDR Targets ID: 210192
  • Name: (5R,6S)-3-(2-hydroxyethyl)-7-oxo-6-[(2-phenyl acetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2 -carboxylic acid
  • MW: 330.335 | Formula: C17H18N2O5
  • H donors: 3 H acceptors: 5 LogP: -0.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1=C(C(=O)O)N2[C@H](C1)[C@@H](C2=O)NC(=O)Cc1ccccc1
  • InChi: 1S/C17H18N2O5/c20-7-6-11-9-12-14(16(22)19(12)15(11)17(23)24)18-13(21)8-10-4-2-1-3-5-10/h1-5,12,14,20H,6-9H2,(H,18,21)(H,23,24)/t12-,14+/m1/s1
  • InChiKey: SLYSZDSZNJKWFS-OCCSQVGLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R,6S)-3-(2-hydroxyethyl)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R,6S)-3-(2-hydroxyethyl)-7-oxo-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5R,6S)-3-(2-hydroxyethyl)-7-keto-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-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
Brugia malayi calpain family protein 1 0.0065 0.1447 0.1471
Schistosoma mansoni hypothetical protein 0.0016 0.0151 0.0359
Schistosoma mansoni hypothetical protein 0.0016 0.0151 0.0359
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0241 0.0573
Loa Loa (eye worm) hypothetical protein 0.0078 0.1798 0.1828
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0018 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.1447 0.1471
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0011 0.0019 0.0019
Echinococcus granulosus voltage dependent calcium channel subunit 0.0176 0.4401 0.4401
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.041 0.041
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0018 0.022 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0949 0.0949
Loa Loa (eye worm) hypothetical protein 0.0181 0.454 0.4616
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.038 0.9837 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0019 0.0019
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0151 0.0153
Echinococcus granulosus GPCR family 2 0.0016 0.0151 0.0151
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0949 0.0949
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0151 0.0153
Brugia malayi Cache domain containing protein 0.0078 0.1798 0.1828
Loa Loa (eye worm) hypothetical protein 0.0016 0.0151 0.0153
Loa Loa (eye worm) hypothetical protein 0.005 0.1059 0.1076
Schistosoma mansoni hypothetical protein 0.0034 0.0639 0.1517
Schistosoma mansoni hypothetical protein 0.0016 0.0151 0.0359
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.041 0.041
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1059 0.1076
Loa Loa (eye worm) calpain family protein 1 0.0045 0.0936 0.0952
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.038 0.9837 1
Echinococcus granulosus calpain A 0.0019 0.0241 0.0241
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0068 0.1535 0.1535
Echinococcus multilocularis calpain A 0.0068 0.1535 0.1535
Echinococcus multilocularis calpain 0.0019 0.0241 0.0241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0949 0.2255
Schistosoma mansoni serine-rich repeat protein 0.0091 0.2143 0.5089
Brugia malayi calpain 7 0.0019 0.0241 0.0245
Schistosoma mansoni hypothetical protein 0.0091 0.2143 0.5089
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0065 0.1447 0.3437
Brugia malayi calpain 5 0.0019 0.0241 0.0245
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.038 0.9837 1
Echinococcus granulosus calpain A 0.0068 0.1535 0.1535
Loa Loa (eye worm) hypothetical protein 0.0034 0.0639 0.0649
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0168 0.4211 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.038 0.9837 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0045 0.0936 0.0952
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.041 0.041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0151 0.0153
Echinococcus granulosus calpain 0.0019 0.0241 0.0241
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.1535 0.3645
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.038 0.9837 1
Brugia malayi N-terminal motif family protein 0.0181 0.454 0.4616
Schistosoma mansoni calpain C (C02 family) 0.0019 0.0241 0.0573
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0151 0.0151
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0019 0.0019
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0019 0.0019
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0018 0.022 0.5
Brugia malayi calpain family protein 1 0.0065 0.1447 0.1471
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.038 0.9837 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0639 0.0649
Echinococcus granulosus calpain 5 0.0019 0.0241 0.0241
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0065 0.1447 0.1471
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0085 0.1989 0.4724
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.454 0.4616
Echinococcus granulosus glutamate receptor 2 0.0011 0.0019 0.0019
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0176 0.4401 0.4401
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0045 0.0936 0.0952
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0949 0.0965
Echinococcus multilocularis calpain family protein 1, d 0.0045 0.0936 0.0936
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.2846 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0011 0.0019 0.0019
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0263 0.6721 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1059 0.1076
Echinococcus multilocularis glutamate receptor 2 0.0011 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0016 0.0151 0.0359
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0011 0.0019 0.0019
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0117 0.2846 1
Echinococcus multilocularis calpain 5 0.0019 0.0241 0.0241
Leishmania major hypothetical protein, conserved 0.0117 0.2846 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1059 0.1076
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0011 0.0019 0.0019
Loa Loa (eye worm) calpain 0.0019 0.0241 0.0245
Schistosoma mansoni calpain (C02 family) 0.0019 0.0241 0.0573
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.038 0.9837 1
Schistosoma mansoni glutamate receptor NMDA 0.0011 0.0019 0.0046
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0068 0.1535 0.1535
Echinococcus multilocularis GPCR, family 2 0.0016 0.0151 0.0151
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0949 0.0949
Onchocerca volvulus 0.038 0.9837 1
Chlamydia trachomatis glutamine binding protein 0.0018 0.022 0.5
Onchocerca volvulus 0.0045 0.0936 0.0952
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.1535 0.3645
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.038 0.9837 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0949 0.0949
Entamoeba histolytica protein tyrosine phosphatase, putative 0.038 0.9837 1
Plasmodium vivax calpain, putative 0.0019 0.0241 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0386 1 1
Echinococcus multilocularis hypothetical protein 0.0019 0.0241 0.0241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0949 0.2255
Echinococcus granulosus calpain 7 C02 family 0.0019 0.0241 0.0241
Echinococcus multilocularis calpain 7 (C02 family) 0.0019 0.0241 0.0241
Schistosoma mansoni Mername-AA248 (C02 family) 0.0019 0.0241 0.0573
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0151 0.0151
Loa Loa (eye worm) calpain 5 0.0019 0.0241 0.0245
Loa Loa (eye worm) calpain family protein 1 0.0065 0.1447 0.1471
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.038 0.9837 1
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.2846 1
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0241 0.0573
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.038 0.9837 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.038 0.9837 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0949 0.0965
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0949 0.2255

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.07 ug ml-1 In vitro antimicrobial activity against Staphylococcus aureus FDA 209P was determined ChEMBL. 11020277
MIC (functional) = 0.75 ug ml-1 In vitro antimicrobial activity against Escherichia coli ATCC 39188 was determined ChEMBL. 11020277
MIC (functional) = 0.75 ug ml-1 In vitro antimicrobial activity against Escherichia coli ATCC 39188 was determined ChEMBL. 11020277
MIC (functional) = 0.77 ug ml-1 In vitro antimicrobial activity against Xanthomonas maltophilia GN 12873 in combination (1:1 w/w) with imipenem ChEMBL. 11020277
MIC (functional) = 0.88 ug ml-1 In vitro antimicrobial activity against Klebsiella pneumoniae NCTC 418 was determined ChEMBL. 11020277
MIC (functional) = 3.51 ug ml-1 In vitro antimicrobial activity against Pseudomonas aeruginosa 1101-75 was determined ChEMBL. 11020277
MIC (functional) = 6.73 ug ml-1 In vitro antimicrobial activity against Xanthomonas maltophilia GN 12873 was determined ChEMBL. 11020277
MIC (functional) = 19.23 ug ml-1 In vitro antimicrobial activity against Staphylococcus aureus 95 (methicillin-resistant strain) was determined ChEMBL. 11020277
MIC (functional) = 22.64 ug ml-1 In vitro antimicrobial activity against Pseudomonas aeruginosa 18S-H was determined ChEMBL. 11020277
MPC (functional) = 6.98 ug ml-1 Minimum protective concentration against beta-lactamase of Pseudomonas aeruginosa 18S-H ChEMBL. 11020277
MPC (functional) = 7.18 ug ml-1 Minimum protective concentration against beta-lactamase of Staphylococcus aureus 95 ChEMBL. 11020277
MPC (functional) = 36.74 ug ml-1 Minimum protective concentration against beta-lactamase of Xanthomonas maltophilia GN 12873 (CXase-I) ChEMBL. 11020277
MPC (functional) = 42.15 ug ml-1 Minimum protective concentration against beta-lactamase of Xanthomonas maltophilia GN 12873 (CXase-II) ChEMBL. 11020277

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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