Detailed information for compound 823862

Basic information

Technical information
  • TDR Targets ID: 823862
  • Name: N-(4-ethoxyphenyl)-3-(3-propylimidazo[5,4-b]p yridin-2-yl)propanamide
  • MW: 352.43 | Formula: C20H24N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.97 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CCc1nc2c(n1CCC)nccc2
  • InChi: 1S/C20H24N4O2/c1-3-14-24-18(23-17-6-5-13-21-20(17)24)11-12-19(25)22-15-7-9-16(10-8-15)26-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,25)
  • InChiKey: OIIRAUPDNXSOOE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-ethoxyphenyl)-3-(3-propyl-2-imidazo[5,4-b]pyridinyl)propanamide
  • N-(4-ethoxyphenyl)-3-(3-propylimidazo[5,4-b]pyridin-2-yl)propionamide
  • C614-6049
  • NCGC00110951-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis acetylcholinesterase 0.1826 1 1
Echinococcus granulosus acetylcholinesterase 0.1826 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0309 0.1645 0.1645
Entamoeba histolytica hypothetical protein 0.0043 0.0185 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0309 0.1645 0.1645
Onchocerca volvulus 0.0309 0.1645 0.5
Onchocerca volvulus 0.0309 0.1645 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0309 0.1645 0.5
Loa Loa (eye worm) hypothetical protein 0.0309 0.1645 0.1645
Schistosoma mansoni acetylcholinesterase 0.0309 0.1645 0.1645
Entamoeba histolytica hypothetical protein 0.0043 0.0185 0.5
Echinococcus granulosus neuroligin 0.0309 0.1645 0.1645
Entamoeba histolytica hypothetical protein 0.0043 0.0185 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0309 0.1645 0.1645
Echinococcus multilocularis BC026374 protein (S09 family) 0.0309 0.1645 0.1645
Schistosoma mansoni BC026374 protein (S09 family) 0.0309 0.1645 0.1645
Loa Loa (eye worm) acetylcholinesterase 1 0.1826 1 1
Loa Loa (eye worm) hypothetical protein 0.0309 0.1645 0.1645
Echinococcus multilocularis acetylcholinesterase 0.1826 1 1
Brugia malayi hypothetical protein 0.0309 0.1645 0.1645
Trichomonas vaginalis spcc417.12 protein, putative 0.0309 0.1645 0.5
Loa Loa (eye worm) carboxylesterase 0.0309 0.1645 0.1645
Onchocerca volvulus 0.0309 0.1645 0.5
Onchocerca volvulus 0.0309 0.1645 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0309 0.1645 0.1645
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0309 0.1645 0.1645
Echinococcus granulosus acetylcholinesterase 0.1826 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0309 0.1645 0.1645
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.074 0.074
Onchocerca volvulus 0.0309 0.1645 0.5
Brugia malayi hypothetical protein 0.0043 0.0185 0.0185
Echinococcus multilocularis carboxylesterase 5A 0.1826 1 1
Loa Loa (eye worm) carboxylesterase 0.0309 0.1645 0.1645
Echinococcus granulosus carboxylesterase 5A 0.1826 1 1
Echinococcus multilocularis neuroligin 0.0309 0.1645 0.1645
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1826 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0309 0.1645 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.074 0.074
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0309 0.1645 0.1645
Loa Loa (eye worm) hypothetical protein 0.0309 0.1645 0.1645
Brugia malayi MH2 domain containing protein 0.0144 0.074 0.074
Entamoeba histolytica hypothetical protein 0.0043 0.0185 0.5
Schistosoma mansoni gliotactin 0.0309 0.1645 0.1645
Brugia malayi Carboxylesterase family protein 0.1826 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0309 0.1645 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0309 0.1645 0.1645
Brugia malayi Carboxylesterase family protein 0.0309 0.1645 0.1645
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0309 0.1645 0.1645
Loa Loa (eye worm) hypothetical protein 0.0309 0.1645 0.1645
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0309 0.1645 0.1645
Schistosoma mansoni hypothetical protein 0.0043 0.0185 0.0185
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0185 0.0185
Echinococcus granulosus BC026374 protein S09 family 0.0309 0.1645 0.1645
Loa Loa (eye worm) carboxylesterase 0.1826 1 1
Loa Loa (eye worm) hypothetical protein 0.0309 0.1645 0.1645
Loa Loa (eye worm) hypothetical protein 0.1826 1 1
Brugia malayi Carboxylesterase family protein 0.0309 0.1645 0.1645
Loa Loa (eye worm) hypothetical protein 0.1826 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0309 0.1645 0.5
Brugia malayi Carboxylesterase family protein 0.0309 0.1645 0.1645
Mycobacterium ulcerans carboxylesterase, LipT 0.0309 0.1645 0.5
Brugia malayi Carboxylesterase family protein 0.0309 0.1645 0.1645

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1413 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4611 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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