Detailed information for compound 1706825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.563 | Formula: C24H34N6O6
  • H donors: 2 H acceptors: 5 LogP: 0.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(C(=O)Nc1ccc2c(c1)OCO2)C)C
  • InChi: 1S/C24H34N6O6/c1-16-11-29(17(2)13-31)23(32)5-4-8-30-19(10-25-27-30)14-34-22(16)12-28(3)24(33)26-18-6-7-20-21(9-18)36-15-35-20/h6-7,9-10,16-17,22,31H,4-5,8,11-15H2,1-3H3,(H,26,33)/t16-,17-,22-/m1/s1
  • InChiKey: PARFVHOUOBIHJG-DRSNIGMVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 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 multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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 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 multilocularis guanine nucleotide binding protein G(s) 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Schistosoma mansoni serine/threonine protein kinase 0.0114 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0011 0 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 1 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.4281 0.4281
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.6347 0.6347
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.6347 0.6347
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.6347 0.6347
Toxoplasma gondii isocitrate dehydrogenase 0.0011 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.6347 0.6347
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0011 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.6347 0.6347
Schistosoma mansoni kinase 0.0058 0.4546 0.4546
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Giardia lamblia Kinase, PLK 0.0114 1 0.5
Brugia malayi RNA binding protein 0.0076 0.6347 0.6347
Toxoplasma gondii isocitrate dehydrogenase 0.0011 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.6347 0.6347
Schistosoma mansoni tar DNA-binding protein 0.0076 0.6347 0.6347
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.6347 0.6347
Schistosoma mansoni tar DNA-binding protein 0.0076 0.6347 0.6347
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4281 0.4281
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0011 0 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.4281 0.4281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4281 0.4281
Brugia malayi TAR-binding protein 0.0076 0.6347 0.6347
Loa Loa (eye worm) RNA binding protein 0.0076 0.6347 0.6347
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4281 0.4281
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4281 0.4281
Trypanosoma brucei polo-like protein kinase 0.0114 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4281 0.4281
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 1 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.6347 0.6347
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4281 0.4281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4281 0.4281

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 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.

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