Detailed information for compound 1469245

Basic information

Technical information
  • TDR Targets ID: 1469245
  • Name: 1-(4-chlorophenyl)-2-pyridin-1-ium-1-ylethano ne iodide
  • MW: 359.59 | Formula: C13H11ClINO
  • H donors: 0 H acceptors: 1 LogP: 3.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)C[n+]1ccccc1.[I-]
  • InChi: 1S/C13H11ClNO.HI/c14-12-6-4-11(5-7-12)13(16)10-15-8-2-1-3-9-15;/h1-9H,10H2;1H/q+1;/p-1
  • InChiKey: UOBSFUJSYPCJCT-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)-2-pyridin-1-ium-1-yl-ethanone iodide
  • 1-(4-chlorophenyl)-2-(1-pyridin-1-iumyl)ethanone iodide
  • 1-[(4-CHLOROBENZOYL)METHYL]PYRIDINIUM IODIDE
  • NSC2510
  • 10E-965

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens poly(A) binding protein, cytoplasmic 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis poly(A)-binding protein 3, putative;with=GeneDB:LmjF25.0080 Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania mexicana poly(a) binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma brucei gambiense polyadenylate-binding protein 1, putative,PABP1 Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma brucei gambiense poly(A)-binding protein 1,PABP2 Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium falciparum polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania donovani polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania mexicana poly(A)-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Cryptosporidium hominis poly(a)-binding protein fabm Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma congolense polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium vivax polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis ribonucleoprotein, chloroplast, putative Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium knowlesi polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Entamoeba histolytica polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei polyadenylate-binding protein 1 Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania infantum polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Theileria parva polyadenylate binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania donovani poly(A)-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma cruzi polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis RNA-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania major poly(A)-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Entamoeba histolytica polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis nuclear acid binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis RNA-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma mansoni polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania donovani polyadenylate-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Candida albicans similar to PolyA Binding Protein Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis poly(A) binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma japonicum Embryonic polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma mansoni polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Brugia malayi polyadenylate-binding protein 1 Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma congolense polyadenylate-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium yoelii polyA binding protein-related Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania major poly(A)-binding protein 3 Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania infantum poly(A)-binding protein 3, putative;with=GeneDB:LmjF25.0080 Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania infantum poly(A)-binding protein 2,poly(a) binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126795 All targets in OG5_126795
Plasmodium berghei polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Schistosoma mansoni polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Babesia bovis polyadenylate binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma cruzi polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
Cryptosporidium parvum poly(a)-binding protein fabm, putative Get druggable targets OG5_126795 All targets in OG5_126795
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi polyadenylate-binding protein 4 Get druggable targets OG5_126795 All targets in OG5_126795
Candida albicans similar to PolyA Binding Protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania braziliensis poly(A)-binding protein 2, putative;with=GeneDB:LmjF35.4130,poly(A)-binding protein 2, putative Get druggable targets OG5_126795 All targets in OG5_126795
Toxoplasma gondii polyadenylate binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Neospora caninum hypothetical protein Get druggable targets OG5_126795 All targets in OG5_126795
Giardia lamblia Polyadenylate-binding protein, putative Get druggable targets OG5_126795 All targets in OG5_126795
Trypanosoma brucei polyadenylate-binding protein 2 Get druggable targets OG5_126795 All targets in OG5_126795
Echinococcus granulosus polyadenylate binding protein Get druggable targets OG5_126795 All targets in OG5_126795
Leishmania braziliensis polyadenylate-binding protein 1, putative Get druggable targets OG5_126795 All targets in OG5_126795
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei glycerol uptake protein, putative 0.0712 0.1659 1
Trichomonas vaginalis conserved hypothetical protein 0.0712 0.1659 1
Schistosoma mansoni hypothetical protein 0.0712 0.1659 0.1659
Onchocerca volvulus 0.0286 0.0651 0.3696
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0712 0.1659 0.1659
Leishmania major glycerol uptake protein, putative 0.0712 0.1659 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0712 0.1659 0.1659
Trichomonas vaginalis porcupine, putative 0.0712 0.1659 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0059 0.0059
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0059 0.0059
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0712 0.1659 0.1659
Trypanosoma cruzi GUP1, putative 0.0712 0.1659 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0712 0.1659 0.1659
Schistosoma mansoni zinc finger protein 0.0712 0.1659 0.1659
Loa Loa (eye worm) hhat protein 0.0712 0.1659 0.1659
Entamoeba histolytica hypothetical protein 0.0712 0.1659 0.5
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0712 0.1659 0.1659
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0712 0.1659 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0712 0.1659 1
Trichomonas vaginalis transmembrane protein nessy, putative 0.0712 0.1659 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0712 0.1659 0.1659
Brugia malayi MBOAT family protein 0.0712 0.1659 0.1659
Loa Loa (eye worm) hhat protein 0.0712 0.1659 0.1659
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0712 0.1659 0.1659
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0712 0.1659 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0712 0.1659 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.0568 0.0568
Trypanosoma cruzi glycerol uptake protein, putative 0.0712 0.1659 1
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0712 0.1659 0.1659
Brugia malayi Pre-SET motif family protein 0.0036 0.0059 0.0059
Loa Loa (eye worm) MBOAT family protein 0.0712 0.1659 0.1659
Loa Loa (eye worm) MBOAT family protein 0.0712 0.1659 0.1659
Plasmodium falciparum diacylglycerol O-acyltransferase 0.4239 1 1
Leishmania major glycerol uptake protein, putative 0.0712 0.1659 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.4239 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0712 0.1659 0.1659
Trypanosoma cruzi GUP1, putative 0.0712 0.1659 1
Toxoplasma gondii hypothetical protein 0.0712 0.1659 0.1659
Leishmania major glycerol uptake protein, putative 0.0712 0.1659 1
Echinococcus granulosus sterol O acyltransferase 1 0.0712 0.1659 0.1659
Schistosoma mansoni sterol O-acyltransferase 1 0.0712 0.1659 0.1659
Brugia malayi MBOAT family protein 0.0712 0.1659 0.1659
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.4239 1 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0712 0.1659 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0712 0.1659 1
Brugia malayi MBOAT family protein 0.0712 0.1659 0.1659
Brugia malayi MBOAT family protein 0.0712 0.1659 0.1659
Trypanosoma cruzi glycerol uptake protein, putative 0.0712 0.1659 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0712 0.1659 0.1659
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0059 0.0059
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0712 0.1659 0.1659
Brugia malayi Hhat protein 0.0712 0.1659 0.1659
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0568 0.0568
Loa Loa (eye worm) MBOAT family protein 0.0712 0.1659 0.1659
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0712 0.1659 0.1659
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0059 0.0059
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0712 0.1659 0.1659
Entamoeba histolytica hypothetical protein, conserved 0.0712 0.1659 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0059 0.0059
Trichomonas vaginalis conserved hypothetical protein 0.0712 0.1659 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0712 0.1659 0.1659
Loa Loa (eye worm) hypothetical protein 0.0712 0.1659 0.1659
Leishmania major glycerol uptake protein, putative 0.0712 0.1659 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0059 0.0059
Onchocerca volvulus 0.0712 0.1659 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0712 0.1659 0.1659
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.4239 1 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0712 0.1659 0.1659
Loa Loa (eye worm) hypothetical protein 0.0712 0.1659 0.1659
Treponema pallidum alginate O-acetylation protein (algI) 0.0712 0.1659 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0712 0.1659 0.1659
Plasmodium vivax SET domain protein, putative 0.0036 0.0059 0.0059
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.4239 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0059 0.0059
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0712 0.1659 0.1659
Leishmania major hypothetical protein, conserved 0.0712 0.1659 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0712 0.1659 0.1659
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0712 0.1659 0.1659
Loa Loa (eye worm) diacylglycerol acyltransferase 0.4239 1 1
Leishmania major glycerol uptake protein, putative 0.0712 0.1659 1
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.4239 1 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0712 0.1659 1
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.4239 1 1
Echinococcus multilocularis sterol O acyltransferase 1 0.0712 0.1659 0.1659
Echinococcus granulosus o acyltransferase membrane bound domain 0.0712 0.1659 0.1659
Loa Loa (eye worm) hypothetical protein 0.3527 0.8315 0.8315
Echinococcus granulosus o acyltransferase membrane bound domain 0.0712 0.1659 0.1659
Brugia malayi MBOAT family protein 0.0712 0.1659 0.1659

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.955 uM PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of translation initiation inhibitors (PABP). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2012, AID2030, AID435011, AID435018, AID449744, AID449751, AID449752] ChEMBL. No reference
IC50 (binding) > 100 uM PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of translation initiation inhibitors (eIF4H). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2014, AID2028, AID435011, AID435018, AID449744, AID449751, AID449752] ChEMBL. No reference
Potency (functional) 1.9953 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) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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