Detailed information for compound 1846292

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.117 | Formula: C12H10INO4
  • H donors: 3 H acceptors: 4 LogP: 2.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1c([nH]c2c1ccc(c2)I)C(=O)O
  • InChi: 1S/C12H10INO4/c13-6-1-2-7-8(3-4-10(15)16)11(12(17)18)14-9(7)5-6/h1-2,5,14H,3-4H2,(H,15,16)(H,17,18)
  • InChiKey: XMHAGVWWGNNOTI-UHFFFAOYSA-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 G protein-coupled receptor 17 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus peptide allatostatin:somatostatin G protein-coupled receptor 17 367 aa 306 aa 21.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0477 0.5 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0477 0.5 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0477 0.5 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0477 0.5 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0477 0.5 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0477 0.5 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0477 0.5 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0477 0.5 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0477 0.5 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0477 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0477 0.5 0.5
Trypanosoma brucei protein kinase, putative 0.0477 0.5 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0477 0.5 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0477 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0477 0.5 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0477 0.5 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0477 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0477 0.5 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0477 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0477 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 6.15 Agonist activity at recombinant human GPR17 short isoform transfected in human 1321N1 cells assessed as mobilization of intracellular Ca2+ after 20 mins by oregon green 488 BAPTA-1/AM dye-based fluorescence assay PATENT. No reference
EC50 (binding) = 6.15 Agonist activity at recombinant human GPR17 short isoform transfected in CHO cells assessed as mobilization of intracellular Ca2+ after 20 mins by oregon green 488 BAPTA-1/AM dye-based fluorescence assay PATENT. No reference
EC50 (functional) = 0.715 uM Agonist activity at human GPR17 receptor transfected in 1321N1 astrocytoma cells assessed as induction of intracellular calcium mobilization by fluorimetric assay 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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