Detailed information for compound 1922955

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.528 | Formula: C23H36O6
  • H donors: 2 H acceptors: 4 LogP: 3.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1C[C@H]2C[C@H](CC[C@@]2([C@@H]2[C@@H]1[C@@H]1C[C@H]([C@@H]([C@]1(CC2)C)O)O)C)OC(=O)C
  • InChi: 1S/C23H36O6/c1-12(24)28-15-5-7-22(3)14(9-15)10-19(29-13(2)25)20-16(22)6-8-23(4)17(20)11-18(26)21(23)27/h14-21,26-27H,5-11H2,1-4H3/t14-,15+,16+,17+,18-,19+,20-,21+,22+,23+/m1/s1
  • InChiKey: UOLLWPKEKVQFPK-GFTBDEITSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0521 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0402 0.6068 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0521 0.0521
Toxoplasma gondii cathepsin CPC2 0.0246 0.3569 0.3569
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0521 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0521 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0521 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0246 0.3569 0.3569
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0521 0.0521
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0246 0.3569 0.3569
Giardia lamblia Encystation-specific protease 0.0246 0.3569 0.3569
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0648 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0521 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0648 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0521 0.0521
Toxoplasma gondii preprocathepsin c precursor, putative 0.0648 1 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0648 1 1
Toxoplasma gondii cathepsin CPC1 0.0648 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0521 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0648 1 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0648 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0246 0.3569 0.3569
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0246 0.3569 0.3569

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 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

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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