Detailed information for compound 664717

Basic information

Technical information
  • TDR Targets ID: 664717
  • Name: 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2 ,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ace tamide
  • MW: 416.924 | Formula: C20H21ClN4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.19 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(SCC(=O)NCc2ccccc2)nnc1c1ccc(cc1)Cl
  • InChi: 1S/C20H21ClN4O2S/c1-27-12-11-25-19(16-7-9-17(21)10-8-16)23-24-20(25)28-14-18(26)22-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,26)
  • InChiKey: QHSXFDCPBSQCBR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]acetamide
  • 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide
  • ZINC02837954
  • T5389109

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
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0436 0.2 0.5
Leishmania major hypothetical protein, conserved 0.0036 0.0052 0.0262
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0126 0.0492 0.203
Loa Loa (eye worm) hypothetical protein 0.0061 0.0173 0.0864
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0166 0.083
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0194 0.0822 0.395
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0173 0.0618
Plasmodium falciparum phenylalanine--tRNA ligase 0.0126 0.0492 0.2462
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0126 0.0492 0.2259
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0173 0.0618
Echinococcus multilocularis peregrin 0.0059 0.0166 0.0583
Toxoplasma gondii ABC1 family protein 0.0036 0.0052 0.0262
Echinococcus granulosus jumonji domain containing protein 0.0082 0.0279 0.1162
Brugia malayi jmjC domain containing protein 0.0072 0.0227 0.1133
Loa Loa (eye worm) hypothetical protein 0.0036 0.0052 0.0262
Loa Loa (eye worm) hypothetical protein 0.0102 0.0372 0.1859
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0436 0.2 1
Brugia malayi beta-lactamase 0.0036 0.0052 0.0262
Schistosoma mansoni jumonji domain containing protein 0.0154 0.0628 0.2953
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0436 0.2 1
Brugia malayi PHD-finger family protein 0.0059 0.0166 0.083
Loa Loa (eye worm) hypothetical protein 0.0036 0.0052 0.0262
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0436 0.2 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0052 0.0262
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0052 0.0262
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0227 0.1133
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0126 0.0492 0.203
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.0994 0.0946
Plasmodium falciparum phd finger protein, putative 0.0059 0.0166 0.083
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0436 0.2 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0173 0.0864
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0126 0.0492 0.2259
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0126 0.0492 0.2462
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0126 0.0492 0.2462
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.2081 1 0.5
Brugia malayi Pre-SET motif family protein 0.0423 0.1935 0.9675
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0194 0.0822 0.395
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0227 0.0894
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0052 0.0262
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0173 0.0618
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0173 0.0618
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0173 0.0618
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0052 0.0262
Brugia malayi MH2 domain containing protein 0.0138 0.0547 0.2735
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0436 0.2 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0052 0.0262
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0436 0.2 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0166 0.083
Loa Loa (eye worm) jmjC domain-containing protein 0.0122 0.0473 0.2364
Schistosoma mansoni hypothetical protein 0.0059 0.0166 0.0583
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0126 0.0492 0.2462
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.2081 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0166 0.083
Onchocerca volvulus Alhambra homolog 0.0059 0.0166 0.0524
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0547 0.2735
Loa Loa (eye worm) hypothetical protein 0.0036 0.0052 0.0262
Brugia malayi jmjC domain containing protein 0.0194 0.0822 0.4108
Echinococcus multilocularis jumonji domain containing protein 0.0082 0.0279 0.1162
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0126 0.0492 0.2259
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0423 0.1935 0.9675
Echinococcus granulosus peregrin 0.0059 0.0166 0.0583
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0126 0.0492 0.2462
Loa Loa (eye worm) beta-lactamase 0.0036 0.0052 0.0262
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0059 0.0166 0.0583
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0436 0.2 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0072 0.0227 0.0894
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0173 0.0618
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0052 0.0262
Brugia malayi Pre-SET motif family protein 0.0061 0.0173 0.0864
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0052 0.0262
Onchocerca volvulus 0.0481 0.2219 1
Brugia malayi beta-lactamase family protein 0.0036 0.0052 0.0262
Echinococcus granulosus lysine specific demethylase 5A 0.0072 0.0227 0.0894
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0547 0.2735
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0173 0.0618
Trichomonas vaginalis set domain proteins, putative 0.0481 0.2219 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0227 0.0894
Brugia malayi Bromodomain containing protein 0.0059 0.0166 0.083
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0126 0.0492 0.2462
Echinococcus granulosus PHD finger protein rhinoceros 0.0059 0.0166 0.0583
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0436 0.2 1
Loa Loa (eye worm) PHD-finger family protein 0.0059 0.0166 0.083
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0436 0.2 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0162 0.0563
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0126 0.0492 0.2259
Brugia malayi beta-lactamase family protein 0.0036 0.0052 0.0262
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0436 0.2 0.8988
Plasmodium vivax SET domain protein, putative 0.0061 0.0173 0.0864
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.2081 1 1
Loa Loa (eye worm) hypothetical protein 0.0436 0.2 1
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.031 0.1385 1
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0436 0.2 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0052 0.0262
Loa Loa (eye worm) hypothetical protein 0.0036 0.0052 0.0262
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0436 0.2 1
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0436 0.2 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0059 0.0166 0.0583
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0166 0.083
Onchocerca volvulus 0.0061 0.0173 0.0556
Plasmodium falciparum phenylalanine--tRNA ligase 0.0126 0.0492 0.2462

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.

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