Detailed information for compound 823703

Basic information

Technical information
  • TDR Targets ID: 823703
  • Name: N-(3,4-dimethoxyphenyl)-3-[3-(thiophen-2-ylme thyl)imidazo[5,4-b]pyridin-2-yl]propanamide
  • MW: 422.5 | Formula: C22H22N4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)NC(=O)CCc1nc2c(n1Cc1cccs1)nccc2
  • InChi: 1S/C22H22N4O3S/c1-28-18-8-7-15(13-19(18)29-2)24-21(27)10-9-20-25-17-6-3-11-23-22(17)26(20)14-16-5-4-12-30-16/h3-8,11-13H,9-10,14H2,1-2H3,(H,24,27)
  • InChiKey: GSHMKGUZQODGGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,4-dimethoxyphenyl)-3-[3-(2-thienylmethyl)imidazo[5,4-b]pyridin-2-yl]propanamide
  • N-(3,4-dimethoxyphenyl)-3-[3-(2-thienylmethyl)-2-imidazo[5,4-b]pyridinyl]propanamide
  • N-(3,4-dimethoxyphenyl)-3-[3-(2-thienylmethyl)imidazo[5,4-b]pyridin-2-yl]propionamide

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
Mycobacterium leprae Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1) 0.0483 0.2365 0.2355
Mycobacterium tuberculosis 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase) ( 0.1534 0.7684 1
Chlamydia trachomatis bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase 0.0941 0.4681 0.5
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative 0.0941 0.4681 1
Mycobacterium leprae PROBABLE DIHYDROPTEROATE SYNTHASE 2 FOLP2 (DHPS 2) (Dihydropteroate pyrophosphorylase 2) 0.0483 0.2365 0.2355
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.003 1
Leishmania major methionine synthase, putative 0.0483 0.2365 1
Mycobacterium ulcerans B12-dependent methionine synthase 0.0483 0.2365 0.2355
Mycobacterium tuberculosis Probable oxidoreductase 0.0295 0.1411 0.1822
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.003 1
Echinococcus granulosus lamin 0.003 0.0069 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.003 0.5
Toxoplasma gondii dihydropteroate synthase 0.0941 0.4681 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.003 0.437
Mycobacterium tuberculosis Dihydropteroate synthase 2 FolP2 (DHPS 2) (dihydropteroate pyrophosphorylase 2) 0.0483 0.2365 0.3066
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.003 1
Echinococcus multilocularis lamin 0.003 0.0069 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.003 0.3038
Loa Loa (eye worm) intermediate filament protein 0.003 0.0069 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.003 0.3038
Echinococcus granulosus intermediate filament protein 0.003 0.0069 1
Mycobacterium ulcerans 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase 0.1992 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.003 0.0022
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase 0.0941 0.4681 1
Schistosoma mansoni ap endonuclease 0.0022 0.003 0.3038
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.003 0.5
Echinococcus multilocularis musashi 0.003 0.0069 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0069 1
Brugia malayi intermediate filament protein 0.003 0.0069 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.003 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.003 0.5
Echinococcus multilocularis lamin dm0 0.003 0.0069 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0069 1
Schistosoma mansoni ap endonuclease 0.0022 0.003 0.3038
Echinococcus granulosus lamin dm0 0.003 0.0069 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.003 0.0017
Mycobacterium ulcerans dihydropteroate synthase 1 FolP1 0.0483 0.2365 0.2355
Schistosoma mansoni lamin 0.003 0.0069 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.003 1
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0069 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.003 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0295 0.1411 0.14
Schistosoma mansoni lamin 0.003 0.0069 1
Onchocerca volvulus 0.003 0.0069 0.5
Mycobacterium ulcerans dihydropteroate synthase 2 FolP2 0.0483 0.2365 0.2355
Mycobacterium leprae Probable 5-methyltetrahydrofolate--homocystein methyltransferase MetH (Methionine synthase, vitamin-B12 dependent isozyme) (MS) 0.0483 0.2365 0.2355
Onchocerca volvulus 0.003 0.0069 0.5
Schistosoma mansoni intermediate filament proteins 0.003 0.0069 1
Mycobacterium tuberculosis Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1) 0.0483 0.2365 0.3066
Loa Loa (eye worm) hypothetical protein 0.0029 0.0067 0.9606
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.003 0.437

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.
 
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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