Detailed information for compound 1358016

Basic information

Technical information
  • TDR Targets ID: 1358016
  • Name: 1-adamantylphosphonic acid
  • MW: 216.214 | Formula: C10H17O3P
  • H donors: 2 H acceptors: 3 LogP: 1.07 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(C12CC3CC(C2)CC(C1)C3)O
  • InChi: 1S/C10H17O3P/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H2,11,12,13)
  • InChiKey: WLVVUJAREKFGTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_732612
  • ST5225814
  • Adamantan-1-yl-phosphonic acid
  • BAS 00380146
  • MLS000054362
  • SMR000065505
  • Oprea1_850841

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
Schistosoma mansoni carbonic anhydrase-related 0.0185 0.0581 0.0903
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0593 0.6427 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0394 0.3578 0.5567
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0185 0.0581 0.0903
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0593 0.6427 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0593 0.6427 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0191 0.0656 0.102
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0185 0.0581 0.0903
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0185 0.0581 0.0903
Leishmania major eukaryotic initiation factor 4a, putative 0.0593 0.6427 1
Plasmodium vivax RNA helicase-1, putative 0.0593 0.6427 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0593 0.6427 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0593 0.6427 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0593 0.6427 1
Treponema pallidum ATP-dependent RNA helicase 0.0593 0.6427 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0191 0.0656 0.102
Schistosoma mansoni voltage-gated potassium channel 0.0208 0.0906 0.141
Loa Loa (eye worm) hypothetical protein 0.0185 0.0581 0.0581
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0394 0.3578 0.5567
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0394 0.3578 0.3578
Echinococcus multilocularis carbonic anhydrase 0.0185 0.0581 0.0903
Echinococcus granulosus eukaryotic initiation factor 4A 0.0593 0.6427 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0593 0.6427 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0191 0.0656 0.102
Schistosoma mansoni carbonic anhydrase 0.0185 0.0581 0.0903
Loa Loa (eye worm) hypothetical protein 0.0165 0.0295 0.0295
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0593 0.6427 1
Loa Loa (eye worm) hypothetical protein 0.0593 0.6427 0.6427
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0593 0.6427 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0593 0.6427 1
Echinococcus granulosus carbonic anhydrase 0.0185 0.0581 0.0903
Schistosoma mansoni voltage-gated potassium channel 0.0208 0.0906 0.141
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0185 0.0581 0.0581
Echinococcus granulosus carbonic anhydrase 0.0185 0.0581 0.0903
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0394 0.3578 0.5567
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0185 0.0581 0.0903
Mycobacterium ulcerans hypothetical protein 0.0145 0 0.5
Brugia malayi eukaryotic initiation factor 4A 0.0593 0.6427 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0185 0.0581 0.0903
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0593 0.6427 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0185 0.0581 0.0903
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0593 0.6427 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0593 0.6427 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0593 0.6427 1
Echinococcus multilocularis carbonic anhydrase II 0.0394 0.3578 0.5567
Schistosoma mansoni hypothetical protein 0.0185 0.0581 0.0903
Loa Loa (eye worm) hypothetical protein 0.0185 0.0581 0.0581
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0593 0.6427 1
Schistosoma mansoni carbonic anhydrase-related 0.0185 0.0581 0.0903
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0593 0.6427 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0394 0.3578 0.3578
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0593 0.6427 1
Echinococcus granulosus carbonic anhydrase 0.0185 0.0581 0.0903
Echinococcus multilocularis carbonic anhydrase 0.0185 0.0581 0.0903
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0191 0.0656 0.0656
Plasmodium falciparum eukaryotic initiation factor 4A 0.0593 0.6427 1
Echinococcus multilocularis carbonic anhydrase 0.0185 0.0581 0.0903
Echinococcus granulosus carbonic anhydrase II 0.0394 0.3578 0.5567
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0394 0.3578 0.5567

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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