Detailed information for compound 833811

Basic information

Technical information
  • TDR Targets ID: 833811
  • Name: 7-(2,3-dimethoxyphenyl)-3-hydroxy-3-(4-methyl phenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3, 2-a]pyridine-8-carbonitrile
  • MW: 422.497 | Formula: C23H22N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C2SCC(N2C(=O)CC1c1cccc(c1OC)OC)(O)c1ccc(cc1)C
  • InChi: 1S/C23H22N2O4S/c1-14-7-9-15(10-8-14)23(27)13-30-22-18(12-24)17(11-20(26)25(22)23)16-5-4-6-19(28-2)21(16)29-3/h4-10,17,27H,11,13H2,1-3H3
  • InChiKey: KTTVGPPYBKWRMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-(2,3-dimethoxyphenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile
  • 7-(2,3-dimethoxyphenyl)-3-hydroxy-5-keto-3-(4-methylphenyl)-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile

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
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.013 0.0003 0.5
Schistosoma mansoni calcium-activated potassium channel 0.3859 1 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.013 0.0003 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.013 0.0003 0.5
Plasmodium falciparum potassium channel 0.013 0.0003 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.013 0.0003 0.5
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.013 0.0003 0.5
Onchocerca volvulus 0.013 0.0003 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.013 0.0003 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0143 0.0039 1
Leishmania major hypothetical protein, conserved 0.013 0.0003 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.013 0.0003 0.5
Leishmania major potassium channel subunit-like protein 0.013 0.0003 0.5
Plasmodium vivax potassium channel, putative 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.013 0.0003 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0143 0.0039 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.013 0.0003 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.013 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.1337 0.3238 0.3235
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0143 0.0039 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.013 0.0003 0.5
Mycobacterium ulcerans ion transport protein 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.013 0.0003 0.5
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.013 0.0003 0.0817
Toxoplasma gondii ion channel protein 0.013 0.0003 0.5
Onchocerca volvulus 0.013 0.0003 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.013 0.0003 0.5
Onchocerca volvulus 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.013 0.0003 0.5
Onchocerca volvulus 0.013 0.0003 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.3859 1 1
Onchocerca volvulus 0.013 0.0003 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.013 0.0003 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.013 0.0003 0.5
Schistosoma mansoni calcium-activated potassium channel 0.2465 0.6262 0.6261
Toxoplasma gondii ion channel protein 0.013 0.0003 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.013 0.0003 0.5
Brugia malayi hypothetical protein 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.013 0.0003 0.5
Leishmania major ion transport protein-like protein 0.013 0.0003 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.013 0.0003 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0968 0.2251 0.2248
Plasmodium vivax potassium channel, putative 0.013 0.0003 0.5
Onchocerca volvulus 0.013 0.0003 0.5
Brugia malayi hypothetical protein 0.013 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.1128 0.268 0.2677
Loa Loa (eye worm) hypothetical protein 0.3859 1 1
Schistosoma mansoni hypothetical protein 0.3859 1 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.013 0.0003 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.013 0.0003 0.5
Trypanosoma cruzi ion transport protein, putative 0.013 0.0003 0.5
Plasmodium falciparum potassium channel 0.013 0.0003 0.5
Leishmania major calcium/potassium channel (CAKC), putative 0.013 0.0003 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.013 0.0003 0.5
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.013 0.0003 0.5
Onchocerca volvulus 0.013 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.1264 0.3044 0.3042
Trypanosoma brucei calcium-activated potassium channel, putative 0.013 0.0003 0.5
Onchocerca volvulus 0.013 0.0003 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0143 0.0039 1
Giardia lamblia Hypothetical protein 0.013 0.0003 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.013 0.0003 0.5
Trypanosoma cruzi ion transport protein, putative 0.013 0.0003 0.5
Leishmania major hypothetical protein, conserved 0.013 0.0003 0.5

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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