Detailed information for compound 1292432

Basic information

Technical information
  • TDR Targets ID: 1292432
  • Name: N-[(3-bromophenyl)methyl]-4-imidazo[5,4-b]pyr idin-3-ylbenzamide
  • MW: 407.263 | Formula: C20H15BrN4O
  • H donors: 1 H acceptors: 3 LogP: 3.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)CNC(=O)c1ccc(cc1)n1cnc2c1nccc2
  • InChi: 1S/C20H15BrN4O/c21-16-4-1-3-14(11-16)12-23-20(26)15-6-8-17(9-7-15)25-13-24-18-5-2-10-22-19(18)25/h1-11,13H,12H2,(H,23,26)
  • InChiKey: ZQHNEIRBBYJDAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-bromophenyl)methyl]-4-imidazo[5,4-b]pyridin-3-yl-benzamide
  • N-[(3-bromophenyl)methyl]-4-(3-imidazo[5,4-b]pyridinyl)benzamide
  • N-(3-bromobenzyl)-4-imidazo[5,4-b]pyridin-3-yl-benzamide
  • E760-0234
  • NCGC00125183-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta 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
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii LsmAD domain-containing protein 0.0176 0.2321 0.5
Schistosoma mansoni hypothetical protein 0.0101 0.0785 0.0468
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.6205 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0176 0.2321 0.5
Schistosoma mansoni tar DNA-binding protein 0.019 0.2626 0.2372
Trypanosoma cruzi PAB1-binding protein , putative 0.0176 0.2321 0.3741
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.6205 1
Plasmodium vivax ataxin-2 like protein, putative 0.0176 0.2321 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.1743 0.1039
Brugia malayi MH2 domain containing protein 0.0352 0.5949 0.5604
Loa Loa (eye worm) hypothetical protein 0.0147 0.1743 0.1039
Brugia malayi hypothetical protein 0.0113 0.1044 0.028
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.2626 0.1998
Schistosoma mansoni tar DNA-binding protein 0.019 0.2626 0.2372
Loa Loa (eye worm) hypothetical protein 0.0176 0.2321 0.1667
Schistosoma mansoni tar DNA-binding protein 0.019 0.2626 0.2372
Schistosoma mansoni tar DNA-binding protein 0.019 0.2626 0.2372
Echinococcus multilocularis tar DNA binding protein 0.019 0.2626 1
Brugia malayi hypothetical protein 0.0176 0.2321 0.1667
Brugia malayi RNA recognition motif domain containing protein 0.019 0.2626 0.1998
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.6205 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0352 0.5949 0.5604
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.2661 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.6205 1
Brugia malayi TAR-binding protein 0.019 0.2626 0.1998
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.1743 0.1039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.1743 0.1039
Trypanosoma brucei PAB1-binding protein , putative 0.0176 0.2321 0.0153
Loa Loa (eye worm) transcription factor SMAD2 0.0352 0.5949 0.5604
Brugia malayi RNA binding protein 0.019 0.2626 0.1998
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.2261 0.3643
Echinococcus granulosus tar DNA binding protein 0.019 0.2626 1
Leishmania major hypothetical protein, conserved 0.0176 0.2321 0.0153
Schistosoma mansoni tar DNA-binding protein 0.019 0.2626 0.2372
Trypanosoma cruzi PAB1-binding protein , putative 0.0176 0.2321 0.3741
Loa Loa (eye worm) TAR-binding protein 0.019 0.2626 0.1998
Loa Loa (eye worm) RNA binding protein 0.019 0.2626 0.1998
Plasmodium falciparum ataxin-2 like protein, putative 0.0176 0.2321 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3078 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.