Detailed information for compound 443653

Basic information

Technical information
  • TDR Targets ID: 443653
  • Name: 4-[4-(6-methoxynaphthalen-2-yl)-2-(4-methylsu lfinylphenyl)-1H-imidazol-5-yl]pyridine
  • MW: 439.529 | Formula: C26H21N3O2S
  • H donors: 1 H acceptors: 3 LogP: 5.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ccc(c2)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[S+](C)[O-]
  • InChi: 1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)
  • InChiKey: SINQIEAULQKUPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(6-methoxy-2-naphthyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
  • 4-[5-(6-methoxynaphthalen-2-yl)-2-(4-methylsulfinylphenyl)-3H-imidazol-4-yl]pyridine
  • 4-[5-(6-methoxy-2-naphthyl)-2-(4-methylsulfinylphenyl)-3H-imidazol-4-yl]pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TEK tyrosine kinase, endothelial Starlite/ChEMBL References

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
Echinococcus multilocularis xaa Pro dipeptidase 0.0017 0.0865 0.0865
Chlamydia trachomatis methionine aminopeptidase 0.0017 0.0865 0.5
Echinococcus granulosus Proliferation associated protein 2G4 0.0017 0.0865 0.0865
Mycobacterium tuberculosis Probable cytoplasmic peptidase PepQ 0.0017 0.0865 0.5
Echinococcus granulosus xaa Pro dipeptidase 0.0017 0.0865 0.0865
Echinococcus granulosus xaa Pro dipeptidase 0.0017 0.0865 0.0865
Echinococcus multilocularis methionyl aminopeptidase 2 0.0136 1 1
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0136 1 1
Treponema pallidum aminopeptidase P 0.0017 0.0865 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0017 0.0865 0.5
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0017 0.0865 0.0865
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0136 1 1
Giardia lamblia Methionine aminopeptidase 0.0136 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0017 0.0865 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0136 1 1
Mycobacterium ulcerans dipeptidase 0.0017 0.0865 0.5
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0017 0.0865 0.5
Mycobacterium tuberculosis Dipeptidase PepE 0.0017 0.0865 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0136 1 1
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0017 0.0865 0.0865
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0017 0.0865 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0136 1 1
Schistosoma mansoni peptidase 0.0017 0.0865 0.0865
Echinococcus multilocularis xaa Pro dipeptidase 0.0017 0.0865 0.0865
Plasmodium vivax methionine aminopeptidase 2, putative 0.0136 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0017 0.0865 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0017 0.0865 0.0865
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0017 0.0865 0.0865
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0017 0.0865 0.5
Chlamydia trachomatis aminopeptidase P 0.0017 0.0865 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0017 0.0865 0.0865
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0017 0.0865 0.5
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0017 0.0865 0.0865
Treponema pallidum methionine aminopeptidase (map) 0.0017 0.0865 0.5
Loa Loa (eye worm) initiation factor 2-associated protein 0.0136 1 1
Plasmodium falciparum methionine aminopeptidase 2 0.0136 1 1
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0017 0.0865 0.0865
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0136 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0017 0.0865 0.0865
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0017 0.0865 0.0865
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0017 0.0865 0.5
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0017 0.0865 0.0865
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0136 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0136 1 1
Mycobacterium ulcerans dipeptidase PepE 0.0017 0.0865 0.5
Mycobacterium ulcerans aminopeptidase 0.0017 0.0865 0.5
Echinococcus multilocularis FACT complex subunit SPT16 0.0017 0.0865 0.0865
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0136 1 1
Echinococcus granulosus FACT complex subunit SPT16 0.0017 0.0865 0.0865
Echinococcus multilocularis xaa pro aminopeptidase 0.0017 0.0865 0.0865
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0136 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0136 1 1
Echinococcus multilocularis methionine aminopeptidase, type I 0.0017 0.0865 0.0865
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0017 0.0865 0.5
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0017 0.0865 0.0865
Mycobacterium ulcerans methionine aminopeptidase 0.0017 0.0865 0.5
Echinococcus granulosus methionyl aminopeptidase 2 0.0136 1 1
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0017 0.0865 0.0865
Echinococcus granulosus xaa pro aminopeptidase 0.0017 0.0865 0.0865
Echinococcus multilocularis Proliferation associated protein 2G4 0.0017 0.0865 0.0865
Entamoeba histolytica methionine aminopeptidase, putative 0.0136 1 1
Echinococcus granulosus methionine aminopeptidase type I 0.0017 0.0865 0.0865
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0017 0.0865 0.0865
Leishmania major methionine aminopeptidase 2, putative 0.0136 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Efficacy in mouse MOPC315 cells xenografted mouse assessed as delay in tumor growth ChEMBL. 17618114
Activity (functional) = 41 % Reduction in bFGF-induced angiogenesis in Matrigel mouse model at 25 mg/kg, ip bid ChEMBL. 17618114
Activity (functional) = 41 % Reduction in bFGF-induced angiogenesis in Matrigel mouse model at 25 mg/kg, ip bid ChEMBL. 17618114
Activity (functional) = 70 % Reduction in bFGF-induced angiogenesis in Matrigel mouse model at 50 mg/kg, ip bid ChEMBL. 17618114
Activity (functional) = 70 % Reduction in bFGF-induced angiogenesis in Matrigel mouse model at 50 mg/kg, ip bid ChEMBL. 17618114
IC50 (functional) = 250 nM Inhibition of Tie2 kinase by autophosphorylation assay ChEMBL. 17618114
IC50 (functional) = 250 nM Inhibition of Tie2 kinase by autophosphorylation assay ChEMBL. 17618114
IC50 (binding) > 20000 nM Inhibition of Tie2 ChEMBL. 17826092
IC50 (binding) > 20000 nM Inhibition of Tie2 ChEMBL. 17826092
IC50 (binding) = 50000 nM Inhibition of P38 kinase ChEMBL. 17618114
Selectivity ratio (binding) > 10 Selectivity of Tie2 over VEGFR2 ChEMBL. 17618114
Selectivity ratio (binding) > 10 Selectivity of Tie2 over VEGFR3 ChEMBL. 17618114
Selectivity ratio (binding) > 10 Selectivity of Tie2 over PDGFR1beta ChEMBL. 17618114

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

2 literature references were collected for this gene.

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