Detailed information for compound 715077

Basic information

Technical information
  • TDR Targets ID: 715077
  • Name: N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfany l-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benz amide
  • MW: 485.397 | Formula: C22H21BrN4O2S
  • H donors: 1 H acceptors: 4 LogP: 4.33 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1C(NC(=O)c1ccccc1)C
  • InChi: 1S/C22H21BrN4O2S/c1-3-13-27-20(15(2)24-21(29)17-7-5-4-6-8-17)25-26-22(27)30-14-19(28)16-9-11-18(23)12-10-16/h3-12,15H,1,13-14H2,2H3,(H,24,29)
  • InChiKey: QHPNMOPKGCQXOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[4-allyl-5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
  • N-[1-[4-allyl-5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide
  • N-[1-[4-allyl-5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide
  • N-[1-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
  • STK130325

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
Trichomonas vaginalis replication factor C large subunit, putative 0.002 0 0.5
Giardia lamblia Replication factor C, subunit 1 0.002 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.3381 0.3381
Entamoeba histolytica hypothetical protein 0.0035 0.3346 1
Chlamydia trachomatis DNA ligase 0.002 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.002 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.002 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.6948 0.6948
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.3381 0.3381
Entamoeba histolytica hypothetical protein 0.0035 0.3346 1
Plasmodium vivax replication factor C subunit 1, putative 0.002 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.3346 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.3346 0.3346
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.6948 0.6948
Trypanosoma cruzi hypothetical protein, conserved 0.002 0 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.3346 0.3346
Trichomonas vaginalis conserved hypothetical protein 0.002 0 0.5
Toxoplasma gondii ATPase, AAA family protein 0.002 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.6948 0.6948
Trichomonas vaginalis conserved hypothetical protein 0.002 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.002 0 0.5
Brugia malayi hypothetical protein 0.0035 0.3346 0.3346
Loa Loa (eye worm) TAR-binding protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.6948 0.6948
Onchocerca volvulus 0.002 0 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0 0.5
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.002 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0065 1 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.002 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0065 1 1
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0 0.5
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0 0.5
Treponema pallidum DNA ligase (lig) 0.002 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.3346 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.002 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.3346 0.3346
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.3346 0.3346
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Brugia malayi TAR-binding protein 0.0065 1 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0065 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.3381 0.3381

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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