Detailed information for compound 1348792

Basic information

Technical information
  • TDR Targets ID: 1348792
  • Name: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N -(2,3-dimethylphenyl)acetamide
  • MW: 371.884 | Formula: C19H18ClN3OS
  • H donors: 1 H acceptors: 2 LogP: 4.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1C)C)CSc1nccn1c1cccc(c1)Cl
  • InChi: 1S/C19H18ClN3OS/c1-13-5-3-8-17(14(13)2)22-18(24)12-25-19-21-9-10-23(19)16-7-4-6-15(20)11-16/h3-11H,12H2,1-2H3,(H,22,24)
  • InChiKey: WGIDRVQHJCKAKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-N-(2,3-dimethylphenyl)acetamide
  • 2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]-N-(2,3-dimethylphenyl)acetamide
  • 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)ethanamide
  • G856-1856
  • NCGC00135805-01
  • EU-0024518
  • ZINC02723665

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
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni bromodomain containing protein 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus bromodomain adjacent to zinc finger domain 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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Conserved 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum 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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni zinc finger protein 0.0024 0.0411 0.089
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4616 1
Brugia malayi RNA binding protein 0.0076 0.4616 0.4068
Schistosoma mansoni bromodomain containing protein 0.0076 0.461 0.9986
Schistosoma mansoni hypothetical protein 0.0025 0.0513 0.111
Echinococcus granulosus tar DNA binding protein 0.0076 0.4616 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4616 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.5325 0.5245
Echinococcus granulosus zinc finger protein 0.0024 0.0411 0.0545
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4616 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2627 0.2501
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4616 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0696 0.1186
Trypanosoma cruzi ISWI complex protein 0.0018 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4616 0.4524
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0696 0.1508
Loa Loa (eye worm) hypothetical protein 0.0046 0.2217 0.2083
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1982 0.4078
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.4266 0.9213
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0169 0.0365
Brugia malayi Bromodomain containing protein 0.0091 0.5736 0.5302
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4616 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0227 0.006
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4616 0.4524
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0169 0.0365
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4616 0.4068
Trypanosoma brucei ISWI complex protein 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.2444 0.2314
Leishmania major hypothetical protein, conserved 0.0018 0 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0696 0.1186
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1982 0.4078
Brugia malayi Bromodomain containing protein 0.0046 0.221 0.1417
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.4266 0.9213
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0169 0.0365
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4616 1
Brugia malayi TAR-binding protein 0.0076 0.4616 0.4068
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4616 0.4524
Echinococcus multilocularis zinc finger protein 0.0024 0.0411 0.0545
Trypanosoma cruzi ISWI complex protein 0.0018 0 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0513 0.035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0169 0.0365

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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