Detailed information for compound 172058

Basic information

Technical information
  • TDR Targets ID: 172058
  • Name: ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2- a]pyridine-3-carboxylate
  • MW: 314.766 | Formula: C17H15ClN2O2
  • H donors: 0 H acceptors: 2 LogP: 4.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(nc2n1cc(C)cc2)c1ccc(cc1)Cl
  • InChi: 1S/C17H15ClN2O2/c1-3-22-17(21)16-15(12-5-7-13(18)8-6-12)19-14-9-4-11(2)10-20(14)16/h4-10H,3H2,1-2H3
  • InChiKey: JLYYPDNOEKBLHQ-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-(4-chlorophenyl)-6-methyl-imidazo[1,2-a]pyridine-3-carboxylate
  • 2-(4-chlorophenyl)-6-methyl-3-imidazo[1,2-a]pyridinecarboxylic acid ethyl ester
  • 2-(4-chlorophenyl)-6-methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
  • ethyl 2-(4-chlorophenyl)-6-methylimidazo[3,2-a]pyridine-3-carboxylate
  • ethyl 2-(4-chlorophenyl)-6-methyl-imidazo[3,2-a]pyridine-3-carboxylate
  • 2-(4-chlorophenyl)-6-methyl-3-imidazo[3,2-a]pyridinecarboxylic acid ethyl ester
  • 2-(4-chlorophenyl)-6-methyl-imidazo[3,2-a]pyridine-3-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Peripheral-type benzodiazepine receptor Starlite/ChEMBL References
Rattus norvegicus GABA-A receptor; anion channel Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Mycobacterium ulcerans tryptophan-rich sensory protein Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus granulosus translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus multilocularis translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
Schistosoma mansoni peripheral-type benzodiazepine receptor Get druggable targets OG5_129542 All targets in OG5_129542
Brugia malayi TspO/MBR family protein Get druggable targets OG5_129542 All targets in OG5_129542

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 454 aa 30.4 %
Echinococcus granulosus vacuolar h atpase Peripheral-type benzodiazepine receptor   169 aa 137 aa 25.5 %
Echinococcus multilocularis glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 446 aa 28.0 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 434 aa 26.7 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; anion channel   467 aa 453 aa 26.9 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit GABA-A receptor; anion channel   467 aa 379 aa 19.3 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 468 aa 28.6 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; anion channel   467 aa 479 aa 29.2 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog GABA-A receptor; anion channel   467 aa 418 aa 19.6 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 447 aa 25.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 446 aa 29.1 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 461 aa 27.8 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA-A receptor; anion channel   467 aa 496 aa 26.0 %
Brugia malayi Cation transporter family protein GABA-A receptor; anion channel   467 aa 453 aa 28.5 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 454 aa 29.5 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 494 aa 25.5 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 441 aa 33.8 %
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 439 aa 29.6 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 435 aa 29.7 %
Onchocerca volvulus Peripheral-type benzodiazepine receptor   169 aa 156 aa 25.6 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 375 aa 21.9 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; anion channel   467 aa 433 aa 34.6 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative GABA-A receptor; anion channel   467 aa 384 aa 19.5 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 478 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1929 0.0405 0.5
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.8186 0.6803 0.5
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.4309 0.2839 1
Chlamydia trachomatis biotin carboxylase 0.3913 0.2433 1
Trypanosoma brucei acetyl-CoA carboxylase 1.1312 1 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 1.1312 1 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.4309 0.2839 0.2839
Trypanosoma cruzi acetyl-CoA carboxylase 0.7003 0.5594 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.4309 0.2839 0.2839
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.4309 0.2839 0.2839
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.4309 0.2839 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 1.1312 1 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.4309 0.2839 0.2839
Leishmania major acetyl-CoA carboxylase, putative 1.1312 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.4309 0.2839 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.4309 0.2839 0.5074
Brugia malayi Carboxyl transferase domain containing protein 1.0916 0.9595 0.5
Trypanosoma brucei unspecified product 0.2833 0.1329 0.1329
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.4309 0.2839 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.4309 0.2839 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.4309 0.2839 0.5074
Mycobacterium ulcerans pyruvate carboxylase 0.4309 0.2839 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.8186 0.6803 0.5
Schistosoma mansoni pyruvate carboxylase 0.4309 0.2839 0.2839
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.4309 0.2839 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.4309 0.2839 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.4309 0.2839 0.2839
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.4309 0.2839 0.2839
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 1.1312 1 1
Schistosoma mansoni acetyl-CoA carboxylase 1.1312 1 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1929 0.0405 0.5
Toxoplasma gondii pyruvate carboxylase 0.4309 0.2839 0.2839
Loa Loa (eye worm) carboxyl transferase domain-containing protein 1.0916 0.9595 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.4309 0.2839 0.2839
Leishmania major carboxylase, putative 0.4309 0.2839 0.2839

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 nM Displacement of [3H]-flunitrazepam from rat brain GABA-A Benzodiazepine receptor ChEMBL. 9301675
IC50 (binding) > 10 nM Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor ChEMBL. 9301675
IC50 (binding) > 10 nM Displacement of [3H]-flunitrazepam from rat brain GABA-A Benzodiazepine receptor ChEMBL. 9301675
IC50 (binding) > 10 nM Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor ChEMBL. 9301675

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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