Detailed information for compound 448024

Basic information

Technical information
  • TDR Targets ID: 448024
  • Name: N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5- yl]ethyl]-4-pentylbenzenesulfonamide
  • MW: 533.682 | Formula: C30H35N3O4S
  • H donors: 2 H acceptors: 3 LogP: 6.71 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCc1ccc(cc1)S(=O)(=O)NCCc1nc([nH]c1c1ccc(cc1)OC)c1ccc(cc1)OC
  • InChi: 1S/C30H35N3O4S/c1-4-5-6-7-22-8-18-27(19-9-22)38(34,35)31-21-20-28-29(23-10-14-25(36-2)15-11-23)33-30(32-28)24-12-16-26(37-3)17-13-24/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
  • InChiKey: AAASTTXAYJCATC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentyl-benzenesulfonamide
  • 4-amyl-N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Arachidonate 15-lipoxygenase 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis arachidonate 5 lipoxygenase Arachidonate 15-lipoxygenase   663 aa 676 aa 22.5 %
Echinococcus granulosus arachidonate 5 lipoxygenase Arachidonate 15-lipoxygenase   663 aa 676 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum plasmepsin VI 0.0335 0.0252 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.2206 0.2529 0.4215
Brugia malayi aspartic protease BmAsp-2, identical 0.0335 0.0252 0.042
Loa Loa (eye worm) hypothetical protein 0.0335 0.0252 0.042
Trypanosoma brucei cysteine peptidase C (CPC) 0.0877 0.0911 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2657 0.3077 0.3077
Plasmodium vivax plasmepsin IV, putative 0.0335 0.0252 0.5
Toxoplasma gondii cathepsin B 0.0877 0.0911 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2657 0.3077 0.3077
Plasmodium vivax aspartyl protease, putative 0.0335 0.0252 0.5
Onchocerca volvulus 0.0335 0.0252 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Echinococcus granulosus cathepsin b 0.2657 0.3077 0.5129
Schistosoma mansoni cathepsin D (A01 family) 0.0335 0.0252 0.0252
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2657 0.3077 0.3077
Plasmodium falciparum plasmepsin IX 0.0335 0.0252 0.5
Loa Loa (eye worm) hypothetical protein 0.0335 0.0252 0.042
Schistosoma mansoni cathepsin D (A01 family) 0.0335 0.0252 0.0252
Plasmodium falciparum plasmepsin X 0.0335 0.0252 0.5
Plasmodium falciparum plasmepsin I 0.0335 0.0252 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0335 0.0252 0.5
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0335 0.0252 0.042
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Loa Loa (eye worm) cathepsin B 0.0877 0.0911 0.1518
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0335 0.0252 0.042
Brugia malayi hypothetical protein 0.0335 0.0252 0.042
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0877 0.0911 0.0911
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0128 0 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2657 0.3077 0.3077
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Plasmodium vivax plasmepsin V, putative 0.0335 0.0252 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Schistosoma mansoni lipoxygenase 0.0209 0.0098 0.0098
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Plasmodium vivax aspartyl protease, putative 0.0335 0.0252 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0209 0.0098 0.0164
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0128 0 0.5
Plasmodium falciparum plasmepsin VIII, putative 0.0335 0.0252 0.5
Loa Loa (eye worm) aspartyl protease 6 0.0335 0.0252 0.042
Echinococcus multilocularis cathepsin b 0.2657 0.3077 0.5129
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0335 0.0252 0.042
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Plasmodium vivax aspartyl proteinase, putative 0.0335 0.0252 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.2206 0.2529 0.4215
Brugia malayi Pepsin A precursor 0.0335 0.0252 0.042
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Plasmodium vivax aspartyl protease, putative 0.0335 0.0252 0.5
Brugia malayi aspartic protease BmAsp-1, identical 0.0335 0.0252 0.042
Giardia lamblia Cathepsin B precursor 0.0877 0.0911 1
Plasmodium falciparum plasmepsin VII 0.0335 0.0252 0.5
Brugia malayi hypothetical protein 0.0335 0.0252 0.042
Plasmodium falciparum plasmepsin II 0.0335 0.0252 0.5
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0335 0.0252 0.2764
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0128 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0335 0.0252 0.042
Loa Loa (eye worm) hypothetical protein 0.2657 0.3077 0.5129
Plasmodium falciparum plasmepsin III 0.0335 0.0252 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0877 0.0911 0.296
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0877 0.0911 1
Onchocerca volvulus 0.0335 0.0252 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0335 0.0252 0.0252
Echinococcus multilocularis cathepsin b 0.2657 0.3077 0.5129
Loa Loa (eye worm) protein-tyrosine phosphatase 0.5059 0.6 1
Giardia lamblia Cathepsin B precursor 0.0877 0.0911 1
Echinococcus granulosus cathepsin b 0.2657 0.3077 0.5129
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0209 0.0098 0.0164
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.5059 0.6 0.6
Plasmodium falciparum plasmepsin V 0.0335 0.0252 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.5059 0.6 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.5059 0.6 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2657 0.3077 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.5059 0.6 1
Giardia lamblia Cathepsin B precursor 0.0877 0.0911 1
Brugia malayi cathepsin B-like cysteine proteinase 0.2657 0.3077 0.5129
Plasmodium falciparum plasmepsin IV 0.0335 0.0252 0.5
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0877 0.0911 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0335 0.0252 0.042
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0335 0.0252 0.042

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of rabbit 15-lipoxygenase in presence of linoleic acid ChEMBL. 17656086
IC50 (binding) > 10 uM Inhibition of rabbit 15-lipoxygenase in presence of linoleic acid ChEMBL. 17656086

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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