Detailed information for compound 1359019

Basic information

Technical information
  • TDR Targets ID: 1359019
  • Name: 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]th iazol-4-ium bromide
  • MW: 359.283 | Formula: C17H15BrN2S
  • H donors: 0 H acceptors: 0 LogP: 4.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)[n+]1c(cn2c1SCC2)c1ccccc1.[Br-]
  • InChi: 1S/C17H15N2S.BrH/c1-3-7-14(8-4-1)16-13-18-11-12-20-17(18)19(16)15-9-5-2-6-10-15;/h1-10,13H,11-12H2;1H/q+1;/p-1
  • InChiKey: RBONHSSHAICNQY-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 6,7-diphenyl-2,3-dihydroimidazo[2,1-b]thiazol-4-ium bromide
  • 6,7-Diphenyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
  • MLS000779996
  • SMR000420178

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Mus musculus GLI-Kruppel family member GLI1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Zinc finger, C2H2 type family protein Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) zinc finger protein Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus granulosus zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.006 0.0266 0.0744
Brugia malayi jmjC domain containing protein 0.0115 0.0849 0.2368
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0146 0.0146
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0265 0.0739
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0063 0.1054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0265 0.0739
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0597 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0078 0.1313
Brugia malayi jmjC domain containing protein 0.0043 0.0078 0.0219
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0397 0.1108
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0265 0.0739
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0078 0.0219
Brugia malayi Zinc finger, C2H2 type family protein 0.0373 0.3583 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0849 0.0849
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0 0.5
Loa Loa (eye worm) zinc finger protein 0.0373 0.3583 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0265 0.0739
Onchocerca volvulus Alhambra homolog 0.0035 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0078 0.1313
Echinococcus multilocularis zinc finger transcription factor gli2 0.0373 0.3583 0.3583
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0063 0.0176
Plasmodium falciparum phd finger protein, putative 0.0035 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0078 0.0078
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0849 0.2368
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0146 0.0408
Echinococcus granulosus zinc finger transcription factor gli2 0.0373 0.3583 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0078 0.0219
Loa Loa (eye worm) hypothetical protein 0.0041 0.0063 0.0176

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 9.72 uM PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 37.6 uM PubChem BioAssay. Dose response validation of uHTS Gli-SUFU antagonist hits in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.5481 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) 5.8024 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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