Detailed information for compound 803874

Basic information

Technical information
  • TDR Targets ID: 803874
  • Name: 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4- yl]sulfanyl]-N-(3-methoxypropyl)acetamide
  • MW: 409.544 | Formula: C23H27N3O2S
  • H donors: 2 H acceptors: 2 LogP: 4.4 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)CSc1nc([nH]c1c1ccccc1)c1ccc(cc1)CC
  • InChi: 1S/C23H27N3O2S/c1-3-17-10-12-19(13-11-17)22-25-21(18-8-5-4-6-9-18)23(26-22)29-16-20(27)24-14-7-15-28-2/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,24,27)(H,25,26)
  • InChiKey: QEBGIMOXPRBJTF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]thio]-N-(3-methoxypropyl)acetamide
  • 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)ethanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi Pre-SET motif family protein 0.0166 0.113 0.027
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0337 0.284
Trypanosoma cruzi ISWI complex protein 0.0085 0.0507 1
Loa Loa (eye worm) bromodomain containing protein 0.0098 0.0608 0.0657
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0281 0.0424
Loa Loa (eye worm) hypothetical protein 0.0237 0.1679 0.1882
Echinococcus multilocularis microtubule associated protein 2 0.0779 0.5849 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0261 0.1861 0.2428
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.0383 0.4777
Schistosoma mansoni hypothetical protein 0.0085 0.0507 0.0812
Echinococcus granulosus fetal alzheimer antigen falz 0.0125 0.0817 0.0447
Onchocerca volvulus 0.0166 0.113 0.0874
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0166 0.113 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0332 0.2409 0.3469
Schistosoma mansoni methyl-cpg binding protein mbd 0.0095 0.0582 0.0941
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.02 0.1391 0.1536
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0332 0.2409 0.3469
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0383 0.4777
Brugia malayi Bromodomain containing protein 0.0213 0.1492 0.0731
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0383 0.4777
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0125 0.0817 0.0447
Echinococcus granulosus zinc finger protein 0.0109 0.069 0.0205
Brugia malayi Bromodomain containing protein 0.0417 0.3065 0.2734
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0166 0.113 0.1885
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0383 0.4777
Brugia malayi Pre-SET motif family protein 0.1158 0.8768 1
Plasmodium vivax SET domain protein, putative 0.0166 0.113 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0166 0.113 0.1885
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0261 0.1861 0.3141
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0166 0.113 0.1041
Loa Loa (eye worm) hypothetical protein 0.0213 0.1495 0.1672
Loa Loa (eye worm) hypothetical protein 0.0393 0.2881 0.326
Trichomonas vaginalis set domain proteins, putative 0.1318 1 0.5
Echinococcus granulosus microtubule associated protein 2 0.0779 0.5849 1
Loa Loa (eye worm) hypothetical protein 0.0261 0.1861 0.2091
Schistosoma mansoni microtubule-associated protein tau 0.0779 0.5849 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.016 0.1083 0.0952
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1158 0.8768 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.02 0.1391 0.1536
Loa Loa (eye worm) hypothetical protein 0.0056 0.0281 0.0282
Loa Loa (eye worm) PHD-finger family protein 0.0115 0.0736 0.0802
Trypanosoma cruzi ISWI complex protein 0.0085 0.0507 1
Echinococcus multilocularis tumor protein p63 0.0381 0.2788 0.4188
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0261 0.1861 0.3141
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0125 0.0817 0.1346
Schistosoma mansoni hypothetical protein 0.0115 0.0736 0.1205
Schistosoma mansoni zinc finger protein 0.0109 0.069 0.1127
Schistosoma mansoni methyl-cpg binding protein mbd 0.0095 0.0582 0.0941
Schistosoma mansoni bromodomain containing protein 0.0352 0.2563 0.4348
Loa Loa (eye worm) hypothetical protein 0.0227 0.1597 0.1789
Leishmania major hypothetical protein, conserved 0.0085 0.0507 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0261 0.1861 0.2428
Echinococcus granulosus tumor protein p63 0.0381 0.2788 0.4188
Echinococcus multilocularis zinc finger protein 0.0109 0.069 0.0205
Trypanosoma brucei ISWI complex protein 0.0085 0.0507 1
Schistosoma mansoni zinc finger protein 0.0085 0.0507 0.0812

Activities

No activities found for this compound.

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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