Detailed information for compound 58032

Basic information

Technical information
  • TDR Targets ID: 58032
  • Name: 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2- amine hydroiodide
  • MW: 376.213 | Formula: C12H13IN2O2S
  • H donors: 1 H acceptors: 1 LogP: 3.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)Cc1c2nc(s1)N.I
  • InChi: 1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H
  • InChiKey: WIUKUZIKTRGASW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6,7-dimethoxy-4H-indeno[1,2-d]thiazol-2-amine hydroiodide
  • (6,7-dimethoxy-4H-indeno[1,2-d]thiazol-2-yl)amine hydroiodide
  • 6,7-dimethoxy-4H-indeno[3,2-d][1,3]thiazol-2-amine hydroiodide
  • 6,7-dimethoxy-4H-indeno[3,2-d]thiazol-2-amine hydroiodide
  • (6,7-dimethoxy-4H-indeno[3,2-d]thiazol-2-yl)amine hydroiodide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adenosine A2a receptor Starlite/ChEMBL 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
Brugia malayi follicle stimulating hormone receptor adenosine A2a receptor 412 aa 336 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis glutamate symporter 0.3321 1 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.3321 1 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.3321 1 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.3321 1 1
Echinococcus granulosus excitatory amino acid transporter 3 0.3321 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.3321 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.1472 0.4172 0.4172
Echinococcus multilocularis excitatory amino acid transporter 2 0.3321 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.3321 1 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.3321 1 1
Echinococcus granulosus neutral amino acid transporter A 0.3321 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1472 0.4172 0.4172
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.3321 1 1
Treponema pallidum glutamate transporter 0.1472 0.4172 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.3321 1 1
Onchocerca volvulus Excitatory amino acid transporter homolog 0.3321 1 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.3321 1 1
Echinococcus granulosus neutral amino acid transporter 0.3321 1 1
Echinococcus granulosus neutral amino acid transporter A 0.3321 1 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.3321 1 0.5
Echinococcus multilocularis excitatory amino acid transporter 3 0.3321 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.3321 1 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1472 0.4172 0.4172
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.1472 0.4172 0.4172
Echinococcus multilocularis neutral amino acid transporter A 0.3321 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.3321 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.3321 1 1
Loa Loa (eye worm) excitatory amino acid transporter 0.3321 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.3321 1 1
Treponema pallidum glutamate/aspartate transporter 0.1472 0.4172 0.5
Echinococcus granulosus Excitatory amino acid transporter 0.3321 1 1

Activities

Activity type Activity value Assay description Source Reference
AE activity (binding) = 29 % Percent allosteric enhancer (AE) activity from ratio of specific binding to Adenosine A3 receptor at end of dissociation to that of 120 min of equilibration ChEMBL. 12039562
AE activity (binding) = 29 % Percent allosteric enhancer (AE) activity from ratio of specific binding to Adenosine A3 receptor at end of dissociation to that of 120 min of equilibration ChEMBL. 12039562
AE activity (binding) = 36 % Percent allosteric enhancer (AE) activity from ratio of specific binding to Adenosine A2A receptor at end of dissociation to that of 120 min of equilibration ChEMBL. 12039562
AE activity (binding) = 36 % Percent allosteric enhancer (AE) activity from ratio of specific binding to Adenosine A2A receptor at end of dissociation to that of 120 min of equilibration ChEMBL. 12039562
AE activity (binding) = 78 % AE activity is the ratio of specific binding at the end of dissociation to specific binding at the end of 120 min of equilibration at 50 uM concentration to Adenosine A1 receptor ChEMBL. 12039562
AE activity (binding) = 78 % AE activity is the ratio of specific binding at the end of dissociation to specific binding at the end of 120 min of equilibration at 50 uM concentration to Adenosine A1 receptor ChEMBL. 12039562
EC50 (binding) = 1.2 AE maximal score of the compound at Adenosine A1 receptor ChEMBL. 12039562
EC50 (binding) = 3.1 AE maximal score of the compound at Adenosine A3 receptor ChEMBL. 12039562
EC50 (binding) = 12 AE maximal score of the compound at Adenosine A2A receptor ChEMBL. 12039562
Log EC50 (binding) = 1.2 AE maximal score of the compound at Adenosine A1 receptor ChEMBL. 12039562
Log EC50 (binding) = 3.1 AE maximal score of the compound at Adenosine A3 receptor ChEMBL. 12039562
Log EC50 (binding) = 12 AE maximal score of the compound at Adenosine A2A receptor ChEMBL. 12039562

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

1 literature reference was collected for this gene.

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