Detailed information for compound 1889831

Basic information

Technical information
  • TDR Targets ID: 1889831
  • Name: N-[(4-bromophenyl)methylideneamino]-2-pyridin -1-ium-1-ylacetamide chloride
  • MW: 354.63 | Formula: C14H13BrClN3O
  • H donors: 1 H acceptors: 1 LogP: 3.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C[n+]1ccccc1)N/N=C/c1ccc(cc1)Br.[Cl-]
  • InChi: 1S/C14H12BrN3O.ClH/c15-13-6-4-12(5-7-13)10-16-17-14(19)11-18-8-2-1-3-9-18;/h1-10H,11H2;1H/b16-10+;
  • InChiKey: WRIJGVGKTFIOHL-QFHYWFJHSA-N  

Network

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Synonyms

  • N-[(4-bromophenyl)methyleneamino]-2-pyridin-1-ium-1-yl-acetamide chloride
  • N-[(4-bromophenyl)methyleneamino]-2-(1-pyridin-1-iumyl)acetamide chloride
  • N-[(4-bromobenzylidene)amino]-2-pyridin-1-ium-1-yl-acetamide chloride
  • N-[(4-bromophenyl)methylideneamino]-2-pyridin-1-ium-1-yl-ethanamide chloride
  • ST5177412

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi MH2 domain containing protein 0.0009 0.0028 0.0049
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3031 0.9537
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0367 1
Brugia malayi TAR-binding protein 0.0074 0.3031 0.5277
Brugia malayi beta-lactamase 0.0035 0.1237 0.2153
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1237 0.0149
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0367 0.1472
Brugia malayi Cathepsin L-like precursor 0.0016 0.0367 0.0638
Loa Loa (eye worm) inositol-1 0.0036 0.1279 0.2188
Brugia malayi Cathepsin L-like precursor 0.0011 0.0117 0.0203
Loa Loa (eye worm) hypothetical protein 0.0035 0.1237 0.2114
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.2492 1
Onchocerca volvulus 0.0035 0.1237 1
Toxoplasma gondii ABC1 family protein 0.0035 0.1237 0.9539
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Onchocerca volvulus 0.0016 0.0367 0.2232
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1237 0.3891
Leishmania major cathepsin L-like protease 0.0062 0.2492 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1279 0.4023
Onchocerca volvulus 0.0016 0.0367 0.2232
Entamoeba histolytica hypothetical protein 0.0077 0.3178 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1237 0.3891
Leishmania major cathepsin L-like protease 0.0062 0.2492 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Leishmania major hypothetical protein, conserved 0.0035 0.1237 0.4093
Entamoeba histolytica hypothetical protein 0.0077 0.3178 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0367 0.1154
Echinococcus granulosus cathepsin l1 0.0011 0.0117 0.0367
Leishmania major cathepsin L-like protease 0.0062 0.2492 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0367 0.2232
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.2242 0.8997
Brugia malayi beta-lactamase family protein 0.0035 0.1237 0.2153
Entamoeba histolytica cysteine protease, putative 0.0016 0.0367 0.1154
Mycobacterium leprae Probable lipase LipE 0.0035 0.1237 1
Onchocerca volvulus 0.0016 0.0367 0.2232
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Onchocerca volvulus 0.0016 0.0367 0.2232
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0367 0.2868
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1237 0.3891
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3031 0.9537
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.0117 0.0367
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.1279 1
Brugia malayi cathepsin L-like precursor 0.0011 0.0117 0.0203
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1237 0.0149
Loa Loa (eye worm) beta-lactamase 0.0035 0.1237 0.2114
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0367 0.1154
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.1279 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1237 0.0149
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Onchocerca volvulus 0.0016 0.0367 0.2232
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1237 0.2153
Onchocerca volvulus 0.0035 0.1237 1
Onchocerca volvulus 0.0016 0.0367 0.2232
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.2492 1
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0367 0.1154
Mycobacterium tuberculosis Conserved protein 0.0035 0.1237 0.0149
Loa Loa (eye worm) hypothetical protein 0.0035 0.1237 0.2114
Loa Loa (eye worm) RNA binding protein 0.0074 0.3031 0.5254
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.1279 0.4023
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0367 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0028 0.0089
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0367 0.1154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1237 0.4963
Loa Loa (eye worm) hypothetical protein 0.0011 0.0117 0.0155
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1237 0.2114
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.3031 0.5254
Loa Loa (eye worm) ctsf protein 0.0016 0.0367 0.0592
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.3178 1
Trichomonas vaginalis esterase, putative 0.0035 0.1237 0.9671
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1237 0.9671
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Brugia malayi MH1 domain containing protein 0.0009 0.0028 0.0049
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.3178 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0117 0.0155
Brugia malayi Cathepsin L-like precursor 0.0016 0.0367 0.0638
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0367 0.1154
Brugia malayi MH1 domain containing protein 0.0009 0.0028 0.0049
Schistosoma mansoni inositol monophosphatase 0.0036 0.1279 0.4023
Schistosoma mansoni smad1 5 8 and 0.0009 0.0028 0.0089
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1237 0.9671
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.1875 0.7525
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1237 0.0149
Echinococcus multilocularis cysteine protease 0.0016 0.0367 0.1154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.3178 1
Echinococcus granulosus Smad4 0.0009 0.0028 0.0089
Plasmodium vivax vivapain-2 0.0016 0.0367 0.2965
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0367 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.1279 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1237 0.2114
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0028 0.0089
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Brugia malayi hypothetical protein 0.0077 0.3178 0.5533
Schistosoma mansoni Smad4 0.0009 0.0028 0.0089
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0367 0.1154
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.2492 1
Echinococcus multilocularis smad 0.0009 0.0028 0.0089
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.2492 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3031 0.9537
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1279 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Echinococcus granulosus cathepsin l1 0.0016 0.0367 0.1154
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0028 0.0089
Onchocerca volvulus 0.0035 0.1237 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0367 0.0638
Loa Loa (eye worm) TAR-binding protein 0.0074 0.3031 0.5254
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0367 0.1154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Brugia malayi beta-lactamase family protein 0.0035 0.1237 0.2153
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0117 0.0367
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.5744 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1279 0.5131
Mycobacterium tuberculosis Conserved protein 0.0035 0.1237 0.0149
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0028 0.0089
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Echinococcus multilocularis tar DNA binding protein 0.0074 0.3031 0.9537
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0117 0.0203
Plasmodium vivax vivapain-2 0.0016 0.0367 0.2965
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1237 0.4963
Brugia malayi Cathepsin L-like precursor 0.0016 0.0367 0.0638
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0367 0.0592
Schistosoma mansoni smad1 5 8 and 0.0009 0.0028 0.0089
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1237 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0367 0.1154
Brugia malayi MH2 domain containing protein 0.0133 0.5744 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1279 0.4023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1237 0.0149
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0367 0.0638
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.5744 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1279 0.5131
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0367 0.1154
Echinococcus multilocularis cysteine protease 0.0016 0.0367 0.1154
Schistosoma mansoni smad 0.0009 0.0028 0.0089
Echinococcus granulosus smad 0.0009 0.0028 0.0089
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.3031 0.5277
Loa Loa (eye worm) hypothetical protein 0.0016 0.0367 0.0592
Echinococcus granulosus tar DNA binding protein 0.0074 0.3031 0.9537
Entamoeba histolytica hypothetical protein 0.0077 0.3178 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1237 0.9671
Brugia malayi Inositol-1 0.0036 0.1279 0.2226
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1237 0.9671
Loa Loa (eye worm) cysteine protease 0.0016 0.0367 0.0592
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0028 0.0089
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3031 0.9537
Mycobacterium tuberculosis Conserved protein 0.0035 0.1237 0.0149
Schistosoma mansoni inositol monophosphatase 0.0036 0.1279 0.4023
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0367 0.2232
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1279 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Schistosoma mansoni hypothetical protein 0.0077 0.3178 1
Brugia malayi Cathepsin L-like precursor 0.0011 0.0117 0.0203
Onchocerca volvulus 0.0016 0.0367 0.2232
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1237 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0117 0.0912
Echinococcus multilocularis Smad4 0.0009 0.0028 0.0089
Brugia malayi Cathepsin L-like precursor 0.0016 0.0367 0.0638
Loa Loa (eye worm) hypothetical protein 0.0011 0.0117 0.0155
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1279 0.4291
Loa Loa (eye worm) fibroinase 0.0016 0.0367 0.0592
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Loa Loa (eye worm) hypothetical protein 0.0035 0.1237 0.2114
Loa Loa (eye worm) hypothetical protein 0.0035 0.1237 0.2114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0367 0.2868
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1237 0.0149
Loa Loa (eye worm) hypothetical protein 0.0035 0.1237 0.2114
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1279 0.5131
Brugia malayi RNA binding protein 0.0074 0.3031 0.5277
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0367 0.2868
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0117 0.0912
Brugia malayi Cathepsin L-like precursor 0.0016 0.0367 0.0638
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0367 0.0592
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0028 0.0089
Entamoeba histolytica hypothetical protein 0.0077 0.3178 1
Brugia malayi MH2 domain containing protein 0.0009 0.0028 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1237 0.9671
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3031 0.9537
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2492 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1237 0.3891
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0367 0.2232
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1237 0.4963
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1237 0.0149
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1279 1
Brugia malayi Smad1 0.0009 0.0028 0.0049
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0367 0.1154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0367 0.2868

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 10.4179 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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