Detailed information for compound 18180

Basic information

Technical information
  • TDR Targets ID: 18180
  • Name: 4-[2-(4-methylsulfinylphenyl)-5-naphthalen-1- yl-1H-imidazol-4-yl]pyridine
  • MW: 409.503 | Formula: C25H19N3OS
  • H donors: 1 H acceptors: 3 LogP: 5.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][S+](c1ccc(cc1)c1[nH]c(c(n1)c1cccc2c1cccc2)c1ccncc1)C
  • InChi: 1S/C25H19N3OS/c1-30(29)20-11-9-19(10-12-20)25-27-23(18-13-15-26-16-14-18)24(28-25)22-8-4-6-17-5-2-3-7-21(17)22/h2-16H,1H3,(H,27,28)
  • InChiKey: IAOJVAYDEVIOKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-(4-methylsulfinylphenyl)-5-(1-naphthyl)-1H-imidazol-4-yl]pyridine
  • 4-[2-(4-methylsulfinylphenyl)-5-(1-naphthalenyl)-1H-imidazol-4-yl]pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
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
Mycobacterium ulcerans beta-lactamase 0.0035 0.0262 0.5
Plasmodium vivax methionine aminopeptidase 2, putative 0.0174 0.353 1
Giardia lamblia Methionine aminopeptidase 0.0174 0.353 0.5
Onchocerca volvulus 0.0035 0.0262 0.0744
Loa Loa (eye worm) hypothetical protein 0.0031 0.0162 0.0459
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.2346 0.6646
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.015 0.2957 0.8376
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0262 0.0744
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0262 0.0744
Onchocerca volvulus Deterin homolog 0.015 0.2957 0.8376
Onchocerca volvulus 0.0031 0.0162 0.0459
Loa Loa (eye worm) initiation factor 2-associated protein 0.0174 0.353 1
Onchocerca volvulus 0.0035 0.0262 0.0744
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.2346 0.6646
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.2789 0.2789
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0262 0.0744
Echinococcus multilocularis inhibitor of apoptosis protein 0.015 0.2957 0.2957
Leishmania major methionine aminopeptidase 2, putative 0.0174 0.353 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0262 0.5
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.015 0.2957 0.8376
Echinococcus multilocularis apoptotic protease activating factor 1 0.0031 0.0162 0.0162
Echinococcus granulosus caspase 2 0.0031 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.015 0.2957 0.8376
Echinococcus granulosus apoptotic protease activating factor 1 0.0031 0.0162 0.0162
Echinococcus granulosus tumor protein p63 0.0362 0.7945 0.7945
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0174 0.353 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0174 0.353 0.353
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0685 0.194
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0262 0.0744
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.015 0.2957 0.8376
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0262 0.0744
Schistosoma mansoni lipoxygenase 0.0142 0.2789 0.7902
Loa Loa (eye worm) hypothetical protein 0.015 0.2957 0.8376
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0744
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0174 0.353 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0262 0.5
Onchocerca volvulus 0.015 0.2957 0.8376
Echinococcus granulosus neuropeptide receptor A26 0.0449 1 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0262 0.0744
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0262 0.0262
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0174 0.353 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0174 0.353 1
Plasmodium falciparum methionine aminopeptidase 2 0.0174 0.353 1
Brugia malayi beta-lactamase family protein 0.0035 0.0262 0.0744
Brugia malayi beta-lactamase family protein 0.0035 0.0262 0.0744
Brugia malayi beta-lactamase 0.0035 0.0262 0.0744
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0174 0.353 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0174 0.353 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0744
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0174 0.353 1
Schistosoma mansoni lipoxygenase 0.01 0.1782 0.5047
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.2789 0.2789
Echinococcus granulosus methionyl aminopeptidase 2 0.0174 0.353 0.353
Loa Loa (eye worm) hypothetical protein 0.0031 0.0162 0.0459
Schistosoma mansoni hypothetical protein 0.0031 0.0162 0.0459
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0262 0.5
Echinococcus granulosus inhibitor of apoptosis protein 0.015 0.2957 0.2957
Schistosoma mansoni inhibitor of apoptosis protein 0.015 0.2957 0.8376
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0744
Schistosoma mansoni hypothetical protein 0.015 0.2957 0.8376
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0174 0.353 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0174 0.353 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0262 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0744
Loa Loa (eye worm) hypothetical protein 0.0053 0.0685 0.194
Onchocerca volvulus Cell death protein 3 homolog 0.0031 0.0162 0.0459
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0744
Echinococcus multilocularis neuropeptide receptor A26 0.0449 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0262 0.0262
Echinococcus granulosus baculoviral IAP repeat containing protein 0.015 0.2957 0.2957
Echinococcus multilocularis tumor protein p63 0.0362 0.7945 0.7945
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0744
Mycobacterium ulcerans hypothetical protein 0.0035 0.0262 0.5
Onchocerca volvulus 0.0053 0.0685 0.194
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.4694 1
Schistosoma mansoni caspase-7 (C14 family) 0.0031 0.0162 0.0459
Echinococcus multilocularis neuropeptide s receptor 0.0449 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0174 0.353 1
Echinococcus multilocularis caspase 2 0.0031 0.0162 0.0162
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0174 0.353 1
Brugia malayi MH2 domain containing protein 0.0124 0.2346 0.6646
Brugia malayi Cell death protein 3 precursor 0.0031 0.0162 0.0459
Brugia malayi initiation factor 2-associated protein. 0.0174 0.353 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.015 0.2957 0.2957
Mycobacterium leprae Probable lipase LipE 0.0035 0.0262 0.5
Brugia malayi hypothetical protein 0.0031 0.0162 0.0459
Onchocerca volvulus 0.0035 0.0262 0.0744
Entamoeba histolytica methionine aminopeptidase, putative 0.0174 0.353 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.65 uM Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes ChEMBL. No reference
IC50 (functional) = 0.65 uM Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes 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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