Detailed information for compound 847374

Basic information

Technical information
  • TDR Targets ID: 847374
  • Name: 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfona mide
  • MW: 282.746 | Formula: C12H11ClN2O2S
  • H donors: 1 H acceptors: 3 LogP: 1.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)NCc1cccnc1
  • InChi: 1S/C12H11ClN2O2S/c13-11-3-5-12(6-4-11)18(16,17)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
  • InChiKey: RQLXDFUYSXYHQP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-(3-pyridylmethyl)benzenesulfonamide
  • EU-0034966
  • A1271/0058146
  • CBMicro_018447
  • BIM-0018276.P001
  • MLS001207825
  • SMR000514305
  • 4-Chloro-N-pyridin-3-ylmethyl-benzenesulfonamide
  • BAS 00481897
  • ZINC00101188
  • AG-205/36814022

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
Echinococcus multilocularis thioredoxin glutathione reductase 0.0086 0.2849 0.574
Echinococcus multilocularis expressed conserved protein 0.0092 0.3112 0.6271
Plasmodium vivax thioredoxin reductase, putative 0.0085 0.2829 1
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.4963 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0694 0.2454
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0694 0.3105
Brugia malayi MH2 domain containing protein 0.0119 0.4145 1
Brugia malayi CHE-14 protein 0.0042 0.1184 0.2857
Schistosoma mansoni patched 1 0.0042 0.1184 0.1184
Onchocerca volvulus 0.0031 0.0737 0.6276
Mycobacterium tuberculosis Probable dehydrogenase 0.0194 0.7014 0.8917
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0694 0.1976
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0694 0.2454
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Plasmodium falciparum glutathione reductase 0.0085 0.2829 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0694 0.5
Mycobacterium tuberculosis Probable reductase 0.0194 0.7014 0.8917
Trypanosoma cruzi trypanothione reductase, putative 0.0085 0.2829 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.3341 0.6732
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0169 0.0596
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.4963 1
Leishmania major trypanothione reductase 0.0085 0.2829 1
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.2236 0.5396
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0694 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.1184 0.2857
Plasmodium falciparum glutathione reductase 0.0029 0.0694 0.2454
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0694 0.2454
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1184 0.5294
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0169 0.0407
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0169 0.0169
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0169 0.034
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0169 0.0596
Loa Loa (eye worm) glutathione reductase 0.0085 0.2829 0.6826
Trichomonas vaginalis chromobox protein, putative 0.007 0.2236 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.34 0.34
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0694 0.1976
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0694 0.1976
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1175 0.5254
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1061 0.4746
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0216 0.7846 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0169 0.0407
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1061 0.4746
Brugia malayi chromobox protein homolog 3 0.0039 0.1061 0.2561
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0694 0.1976
Plasmodium vivax glutathione reductase, putative 0.0085 0.2829 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0694 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0624 0.2789
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0085 0.2829 0.3465
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0694 0.1675
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0624 0.2789
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.1184 0.2386
Loa Loa (eye worm) hypothetical protein 0.0031 0.0737 0.1779
Schistosoma mansoni hypothetical protein 0.0041 0.1126 0.1126
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0169 0.0596
Loa Loa (eye worm) thioredoxin reductase 0.0085 0.2829 0.6826
Brugia malayi Heterochromatin protein 1 0.007 0.2236 0.5396
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.034
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0694 0.1976
Loa Loa (eye worm) hypothetical protein 0.0098 0.3341 0.8061
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0169 0.0596
Treponema pallidum NADH oxidase 0.0029 0.0694 0.5
Schistosoma mansoni chromobox protein 0.007 0.2236 0.2236
Plasmodium falciparum thioredoxin reductase 0.0029 0.0694 0.2454
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0169 0.0407
Mycobacterium tuberculosis Probable oxidoreductase 0.0216 0.7846 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.0394 0.095
Plasmodium falciparum thioredoxin reductase 0.0085 0.2829 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.3341 1
Echinococcus granulosus Protein patched homolog 1 0.0042 0.1184 0.2386
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.3341 0.8061
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0194 0.7014 0.8917
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.1184 0.2386
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0216 0.7846 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Loa Loa (eye worm) hypothetical protein 0.0052 0.1549 0.3737
Schistosoma mansoni chromobox protein 0.007 0.2236 0.2236
Schistosoma mansoni hypothetical protein 0.0041 0.1126 0.1126
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0694 0.2454
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.4145 1
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.3341 0.6732
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0694 0.1399
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Echinococcus granulosus thioredoxin glutathione reductase 0.0086 0.2849 0.574
Brugia malayi Thioredoxin reductase 0.0085 0.2829 0.6826
Echinococcus multilocularis protein patched 0.0042 0.1184 0.2386
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.0394 0.095
Echinococcus granulosus chromobox protein 1 0.007 0.2236 0.4506
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0694 0.1399
Echinococcus granulosus expressed conserved protein 0.0092 0.3112 0.6271
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0694 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0169 0.034
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.4145 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1061 0.2561
Brugia malayi glutathione reductase 0.0085 0.2829 0.6826
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1175 0.5254
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0694 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0194 0.7014 0.8917
Echinococcus granulosus chromobox protein 1 0.007 0.2236 0.4506
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.1061 0.9031
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0694 0.0685
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0694 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Trichomonas vaginalis chromobox protein, putative 0.007 0.2236 1
Schistosoma mansoni hypothetical protein 0.0041 0.1126 0.1126
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0694 0.1976
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0694 0.1976
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0194 0.7014 0.8917
Echinococcus multilocularis chromobox protein 1 0.007 0.2236 0.4506
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0216 0.7846 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.034
Toxoplasma gondii thioredoxin reductase 0.0085 0.2829 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0194 0.7014 0.8917
Echinococcus multilocularis protein dispatched 1 0.0048 0.1413 0.2847
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0694 0.0694
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.034
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0694 0.3105
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0694 0.2454
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0694 0.1976
Schistosoma mansoni hypothetical protein 0.0041 0.1126 0.1126
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0694 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0169 0.034
Echinococcus multilocularis chromobox protein 1 0.007 0.2236 0.4506
Trypanosoma brucei trypanothione reductase 0.0085 0.2829 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0694 0.1976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0694 0.1976
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0694 0.2454
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.1175 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1184 0.2857

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.