Detailed information for compound 1929148

Basic information

Technical information
  • TDR Targets ID: 1929148
  • Name: N-methyl-2,3-diphenyl-1,2,4-thiadiazol-2-ium- 5-amine chloride
  • MW: 303.81 | Formula: C15H14ClN3S
  • H donors: 1 H acceptors: 1 LogP: 5.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc([n+](s1)c1ccccc1)c1ccccc1.[Cl-]
  • InChi: 1S/C15H13N3S.ClH/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13;/h2-11H,1H3;1H
  • InChiKey: CIUSRIOTKZDKMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)-methyl-amine chloride
  • T0502-5596
  • N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine hydrochloride
  • (2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-methyl-amine hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae Rtt109p Starlite/ChEMBL References
Homo sapiens E1A binding protein p300 Starlite/ChEMBL References
Saccharomyces cerevisiae histone acetyltransferase GCN5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04498 E1A/CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Candida albicans Regulation of mitochondrial network Get druggable targets OG5_136567 All targets in OG5_136567
Schistosoma japonicum Protein cbp-1, putative Get druggable targets OG5_129174 All targets in OG5_129174
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) Get druggable targets OG5_129174 All targets in OG5_129174
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni CREB-binding protein 2 Get druggable targets OG5_129174 All targets in OG5_129174
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi TAZ zinc finger family protein Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) CBP-B Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum IPR011071,Polysaccharide lyase family 8-like, C-terminal,domain-containing Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
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 hypothetical protein 0.0099 0.1635 0.1743
Trichomonas vaginalis bromodomain-containing protein, putative 0.0071 0.0518 0.5
Schistosoma mansoni hypothetical protein 0.0099 0.1635 0.1743
Echinococcus granulosus GPCR family 2 0.0099 0.1635 0.2157
Echinococcus multilocularis GPCR, family 2 0.0099 0.1635 0.2275
Loa Loa (eye worm) hypothetical protein 0.0099 0.1635 0.1635
Schistosoma mansoni CREB-binding protein 2 0.0235 0.6928 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0063 0.0212 0.5
Loa Loa (eye worm) hypothetical protein 0.0215 0.6128 0.6128
Brugia malayi Latrophilin receptor protein 2 0.0099 0.1635 0.1179
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0235 0.6928 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0071 0.0518 0.5
Schistosoma mansoni hypothetical protein 0.0099 0.1635 0.1743
Brugia malayi Calcitonin receptor-like protein seb-1 0.0314 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0071 0.0518 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.1635 0.1179
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.1635 0.2157
Loa Loa (eye worm) CBP-B 0.0198 0.5472 0.5472
Echinococcus multilocularis CREB binding protein 0.0197 0.5431 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0314 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0063 0.0212 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.1635 0.2275
Brugia malayi latrophilin 2 splice variant baaae 0.0215 0.6128 0.5917
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.1635 0.2157
Echinococcus granulosus CREB binding protein 0.0235 0.6928 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0071 0.0518 0.5
Echinococcus granulosus CREB binding protein 0.0189 0.5102 0.7295
Echinococcus granulosus histone acetyltransferase KAT2B 0.0071 0.0518 0.0501
Entamoeba histolytica acetyltransferase, GNAT family 0.0063 0.0212 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0071 0.0518 0.5
Schistosoma mansoni hypothetical protein 0.0099 0.1635 0.1743
Loa Loa (eye worm) hypothetical protein 0.0314 1 1
Brugia malayi TAZ zinc finger family protein 0.0235 0.6928 0.676
Loa Loa (eye worm) acetyltransferase 0.0071 0.0518 0.0518
Schistosoma mansoni hypothetical protein 0.0215 0.6128 0.8753
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.1635 0.1635
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.1635 0.2275

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting in presence of 1 mM DTT ChEMBL. 25634295
Activity (binding) Induction of thiol reactivity with La protein (unknown origin) using 13C labeled compound assessed as protein reactivity by ALARM NMR ChEMBL. 25634295
Activity (binding) Induction of thiol reactivity with La protein (unknown origin) using 13C labeled compound assessed as protein reactivity by ALARM NMR in presence of 20 mM DTT ChEMBL. 25634295
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting in presence of 1 mM DTT ChEMBL. 25634295
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K56 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K27 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
IC50 (binding) = 0.81 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting ChEMBL. 25634295
IC50 (binding) = 1.9 uM Inhibition of recombinant histone acetyltransferase p300 (unknown origin) using dH3-H4 tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting ChEMBL. 25634295
IC50 (binding) = 2.7 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CPM based HTS assay ChEMBL. 25634295
IC50 (binding) = 7.5 uM Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting ChEMBL. 25634295
IC50 (binding) = 9.1 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CoA-based HTS counter screen assay ChEMBL. 25634295

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

1 literature reference was collected for this gene.

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