Detailed information for compound 867791

Basic information

Technical information
  • TDR Targets ID: 867791
  • Name: 5-methyl-N-(2-methylphenyl)-2-thiophen-2-ylim idazo[3,2-a]pyridin-3-amine
  • MW: 319.423 | Formula: C19H17N3S
  • H donors: 1 H acceptors: 1 LogP: 5.78 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1Nc1c(nc2n1c(C)ccc2)c1cccs1
  • InChi: 1S/C19H17N3S/c1-13-7-3-4-9-15(13)20-19-18(16-10-6-12-23-16)21-17-11-5-8-14(2)22(17)19/h3-12,20H,1-2H3
  • InChiKey: PJLZBDDSWFTEFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-methyl-N-(2-methylphenyl)-2-(2-thienyl)imidazo[3,2-a]pyridin-3-amine
  • 5-methyl-N-(2-methylphenyl)-2-(2-thienyl)-3-imidazo[3,2-a]pyridinamine
  • (2-methylphenyl)-[5-methyl-2-(2-thienyl)imidazo[3,2-a]pyridin-3-yl]amine
  • 5-methyl-N-(2-methylphenyl)-2-thiophen-2-yl-imidazo[3,2-a]pyridin-3-amine
  • STK228391
  • ZINC00427513
  • C273-0124
  • NCGC00106738-01
  • EU-0024646

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0969 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.1044 0.1044
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0969 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.8384 1
Trypanosoma brucei glucosidase, putative 0.0044 0.0969 0.5
Echinococcus granulosus peregrin 0.0038 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0049 0.1296 0.0866
Schistosoma mansoni bromodomain containing protein 0.0076 0.2902 0.3461
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0969 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0969 0.0815
Plasmodium falciparum phd finger protein, putative 0.0035 0.0471 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.5196 0.5196
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0969 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.1127 0.0689
Onchocerca volvulus 0.0114 0.5107 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0471 0.0471
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0969 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0471 0.0471
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0969 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1955 0.1557
Schistosoma mansoni alpha-glucosidase 0.0169 0.8384 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0969 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0471 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0969 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0954 0.0954
Brugia malayi Bromodomain containing protein 0.0046 0.1122 0.097
Schistosoma mansoni jumonji domain containing protein 0.0092 0.3798 0.453
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0969 0.0969
Schistosoma mansoni hypothetical protein 0.0035 0.0471 0.0562
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1284 0.1284
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0969 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1044 0.1245
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2647 0.2647
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.1044 0.0601
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0969 0.0523
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2682 0.2321
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0969 0.0969
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Brugia malayi jmjC domain containing protein 0.0045 0.1044 0.089
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2647 0.2647
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0471 0.0562
Brugia malayi Bromodomain containing protein 0.0091 0.3737 0.3629
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0969 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0908 0.0908
Schistosoma mansoni alpha glucosidase 0.0044 0.0969 0.1156
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0954 0.0954
Loa Loa (eye worm) hypothetical protein 0.0085 0.3432 0.3107
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0969 0.5
Giardia lamblia PHD finger protein 15 0.0035 0.0471 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0969 0.5
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1284 0.1284
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.5196 0.5196
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1044 0.1245
Brugia malayi jmjC domain containing protein 0.0115 0.5196 0.5114
Brugia malayi Bromodomain containing protein 0.0038 0.064 0.0479
Loa Loa (eye worm) hypothetical protein 0.0052 0.1432 0.1009
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0969 0.5
Echinococcus multilocularis peregrin 0.0038 0.064 0.064
Brugia malayi PHD-finger family protein 0.0035 0.0471 0.0307
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0969 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0969 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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