Detailed information for compound 1385238

Basic information

Technical information
  • TDR Targets ID: 1385238
  • Name: 6,6-dimethyl-5-oxo-N-(phenylmethyl)bicyclo[2. 2.1]heptane-4-carboxamide
  • MW: 271.354 | Formula: C17H21NO2
  • H donors: 1 H acceptors: 2 LogP: 3.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C12CCC(C1)C(C2=O)(C)C)NCc1ccccc1
  • InChi: 1S/C17H21NO2/c1-16(2)13-8-9-17(10-13,14(16)19)15(20)18-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,18,20)
  • InChiKey: NKYCVZIEUAUIAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,3-dimethyl-2-oxo-N-(phenylmethyl)norbornane-1-carboxamide
  • 3,3-dimethyl-2-oxo-N-(phenylmethyl)-1-norbornanecarboxamide
  • N-(benzyl)-2-keto-3,3-dimethyl-norbornane-1-carboxamide
  • AF-399/42176877
  • N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
  • SMR000075723
  • MLS000097066

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0329 1 1
Onchocerca volvulus Deterin homolog 0.0277 0.7998 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0277 0.7998 0.7998
Loa Loa (eye worm) hypothetical protein 0.0277 0.7998 0.7998
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0277 0.7998 0.7998
Onchocerca volvulus 0.0277 0.7998 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0277 0.7998 0.7998
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0277 0.7998 0.7998
Schistosoma mansoni bhlhzip transcription factor bigmax 0.0329 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8011 0.5
Schistosoma mansoni hypothetical protein 0.0277 0.7998 0.7998
Schistosoma mansoni bhlhzip transcription factor bigmax 0.0329 1 1
Schistosoma mansoni inhibitor of apoptosis protein 0.0277 0.7998 0.7998
Echinococcus multilocularis max protein X 0.0329 1 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0277 0.7998 0.7998
Loa Loa (eye worm) hypothetical protein 0.0277 0.7998 0.7998
Echinococcus granulosus inhibitor of apoptosis protein 0.0277 0.7998 0.7998
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0277 0.7998 0.7998
Echinococcus granulosus max protein X 0.0329 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.