Detailed information for compound 522696

Basic information

Technical information
  • TDR Targets ID: 522696
  • Name: dimethyl 4-[6-(3,4-dimethoxyphenyl)imidazo[2, 1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihyd ropyridine-3,5-dicarboxylate
  • MW: 483.537 | Formula: C24H25N3O6S
  • H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(C)NC(=C(C1c1c(nc2n1ccs2)c1ccc(c(c1)OC)OC)C(=O)OC)C
  • InChi: 1S/C24H25N3O6S/c1-12-17(22(28)32-5)19(18(13(2)25-12)23(29)33-6)21-20(26-24-27(21)9-10-34-24)14-7-8-15(30-3)16(11-14)31-4/h7-11,19,25H,1-6H3
  • InChiKey: VXQLUOZRDYRCSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • dimethyl 4-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • 4-[6-(3,4-dimethoxyphenyl)-5-imidazo[2,1-b]thiazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
  • 4-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester

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
Entamoeba histolytica adenosine deaminase, putative 0.0247 1 0.5
Schistosoma mansoni adenosine deaminase-related 0.0247 1 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0247 1 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0247 1 0.5
Plasmodium falciparum adenosine deaminase 0.0247 1 0.5
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0247 1 0.5
Onchocerca volvulus Adenosine deaminase homolog 0.0247 1 0.5
Echinococcus multilocularis adenosine deaminase 0.0247 1 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0247 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0247 1 1
Leishmania major adenine aminohydrolase 0.0247 1 0.5
Schistosoma mansoni adenosine deaminase 0.0247 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.0247 1 0.5
Echinococcus granulosus adenosine deaminase 0.0247 1 0.5
Plasmodium vivax adenosine deaminase, putative 0.0247 1 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0247 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.0247 1 0.5
Treponema pallidum adenosine deaminase 0.0247 1 0.5
Mycobacterium ulcerans adenosine deaminase 0.0247 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 15 % Activity at L type calcium channel in K+ depolarized guinea pig aortic strip assessed as inhibition of calcium induced contraction at 50 uM ChEMBL. 18303827
Activity (binding) = 61 % Inotropic activity at L type calcium channel in guinea pig left atrium assessed as decrease in tension at 100 uM relative to control ChEMBL. 18303827
Activity (binding) = 80 % Chronotropic activity at L type calcium channel in guinea pig right atrium assessed as decrease in spontaneous beating at 50 uM relative to control ChEMBL. 18303827
EC30 (binding) = 1.44 uM Chronotropic activity at L type calcium channel in guinea pig right atrium assessed as decrease in spontaneous beating ChEMBL. 18303827
EC50 (binding) = 2.64 uM Inotropic activity at L type calcium channel in guinea pig left atrium assessed as decrease in tension ChEMBL. 18303827

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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