Detailed information for compound 1546940

Basic information

Technical information
  • TDR Targets ID: 1546940
  • Name: N-(2-chlorophenyl)-2-[[5,6-di(phenyl)-1,2,4-t riazin-3-yl]sulfanyl]acetamide
  • MW: 432.925 | Formula: C23H17ClN4OS
  • H donors: 1 H acceptors: 4 LogP: 4.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Cl)CSc1nnc(c(n1)c1ccccc1)c1ccccc1
  • InChi: 1S/C23H17ClN4OS/c24-18-13-7-8-14-19(18)25-20(29)15-30-23-26-21(16-9-3-1-4-10-16)22(27-28-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,29)
  • InChiKey: CULSMDQKMVXVJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chlorophenyl)-2-[[5,6-di(phenyl)-1,2,4-triazin-3-yl]thio]acetamide
  • N-(2-chlorophenyl)-2-[[5,6-di(phenyl)-1,2,4-triazin-3-yl]sulfanyl]ethanamide
  • PB-00093310
  • N-(2-Chloro-phenyl)-2-(5,6-diphenyl-[1,2,4]triazin-3-ylsulfanyl)-acetamide
  • K784-2269
  • NCGC00139803-01
  • BAS 02240132

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Schistosoma mansoni zinc finger protein 0.0024 0.0146 0.0146
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0146 0.0146
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.3005 0.3005
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.148 0.3615
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1311 0.1311
Schistosoma mansoni hypothetical protein 0.0191 1 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.326 0.326
Loa Loa (eye worm) hypothetical protein 0.0049 0.1654 0.4364
Brugia malayi Bromodomain containing protein 0.0091 0.4094 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.3005 0.3005
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0 0.5
Brugia malayi PHD-finger family protein 0.003 0.0526 0.1285
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0358 0.0358
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0085 0.379 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.1485 0.3919
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.001 0.0027
Toxoplasma gondii exonuclease III APE 0.0021 0 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0221 0.0584
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0 0.5
Echinococcus granulosus zinc finger protein 0.0024 0.0146 0.0146
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1311 0.1311
Trichomonas vaginalis ap endonuclease, putative 0.0021 0 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0358 0.0358
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0 0.5
Echinococcus multilocularis geminin 0.0191 1 1
Schistosoma mansoni hypothetical protein 0.0025 0.0221 0.0221
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.179 0.4723
Schistosoma mansoni hypothetical protein 0.0191 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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