Detailed information for compound 1275090

Basic information

Technical information
  • TDR Targets ID: 1275090
  • Name: N-(pyridin-2-ylmethyl)benzenesulfonamide
  • MW: 248.301 | Formula: C12H12N2O2S
  • H donors: 1 H acceptors: 3 LogP: 1.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1ccccc1)NCc1ccccn1
  • InChi: 1S/C12H12N2O2S/c15-17(16,12-7-2-1-3-8-12)14-10-11-6-4-5-9-13-11/h1-9,14H,10H2
  • InChiKey: ATNMJYCSSCNVMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-pyridylmethyl)benzenesulfonamide
  • ST042452
  • BAS 00624845
  • N-Pyridin-2-ylmethyl-benzenesulfonamide
  • AG-690/11634495
  • MLS000523381
  • SMR000123359

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed 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
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
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 jumonji 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
Schistosoma mansoni jumonji domain containing 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
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
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein 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
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
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
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
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0024
Loa Loa (eye worm) hypothetical protein 0.0039 0.0761 0.2273
Brugia malayi jmjC domain containing protein 0.0043 0.0853 0.3027
Plasmodium falciparum JmjC domain-containing protein, putative 0.0011 0.0008 0.0124
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0012 0.0051
Brugia malayi jmjC domain containing protein 0.0011 0.0008 0.0029
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2817 0.2817
Brugia malayi Bloom's syndrome protein homolog 0.0027 0.0425 0.151
Trichomonas vaginalis DNA helicase recq1, putative 0.0027 0.0425 0.5015
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0251 0.647 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0761 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.2481 0.2481
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0761 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0761 0.2273
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0273 0.0273
Loa Loa (eye worm) beta-lactamase 0.0039 0.0761 0.2273
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0761 1
Brugia malayi Bromodomain containing protein 0.0035 0.0652 0.2316
Echinococcus multilocularis peregrin 0.0035 0.0652 0.0652
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0185 0.2431
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0761 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0761 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0165 0.0494
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0652 0.8562
Schistosoma mansoni phd/f-box containing protein 0.0011 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0039 0.0761 0.2273
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0337 0.517
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0652 0.0652
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0012 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0039 0.0761 0.2273
Echinococcus granulosus jumonji domain containing 1A 0.0011 0.0008 0.0008
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0652 0.0652
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0761 0.5
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0088 0.5
Echinococcus multilocularis GPCR, family 2 0.0017 0.0165 0.0165
Plasmodium falciparum phd finger protein, putative 0.0035 0.0652 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0011 0.0008 0.0008
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0008 0.0024
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0165 0.0165
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0012 0.0043
Giardia lamblia PHD finger protein 15 0.0035 0.0652 1
Echinococcus multilocularis bloom syndrome protein 0.0027 0.0425 0.0425
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.2481 0.2481
Echinococcus multilocularis jumonji domain containing 1A 0.0011 0.0008 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2481 0.2481
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0165 0.0165
Echinococcus granulosus lysine specific demethylase 6a 0.0011 0.0008 0.0008
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0011 0.0008 0.0107
Toxoplasma gondii ABC1 family protein 0.0039 0.0761 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0761 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0011 0.0008 0.0107
Loa Loa (eye worm) RecQ helicase 0.0027 0.0425 0.1271
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0761 1
Schistosoma mansoni hypothetical protein 0.0381 1 1
Brugia malayi beta-lactamase family protein 0.0039 0.0761 0.27
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2817 0.2817
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1168 0.4147
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0761 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.2481 0.2481
Loa Loa (eye worm) hypothetical protein 0.0035 0.0652 0.1949
Onchocerca volvulus 0.0039 0.0761 1
Brugia malayi beta-lactamase 0.0039 0.0761 0.27
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0761 0.0761
Schistosoma mansoni jumonji domain containing protein 0.0011 0.0008 0.0008
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0008 0.0008
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.2481 0.8808
Schistosoma mansoni hypothetical protein 0.0017 0.0165 0.0165
Schistosoma mansoni hypothetical protein 0.0035 0.0652 0.0652
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.0012 0.0158
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1168 0.4147
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0012 0.0051
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0761 0.0761
Mycobacterium ulcerans hypothetical protein 0.0039 0.0761 0.5
Brugia malayi jmjC domain containing protein 0.0011 0.0008 0.0029
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1168 0.349
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1025 0.1025
Loa Loa (eye worm) hypothetical protein 0.0037 0.0704 0.2103
Brugia malayi beta-lactamase family protein 0.0039 0.0761 0.27
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0761 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0008 0.0008
Brugia malayi jmjC domain containing protein 0.0011 0.0008 0.0029
Echinococcus multilocularis lysine specific demethylase 6a 0.0011 0.0008 0.0008
Schistosoma mansoni protein phosphatase 2C 0.0011 0.0008 0.0008
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0088 0.1061
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0165 0.0165
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0761 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0088 0.1061
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0853 0.0853
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0165 0.0494
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0652 0.8577
Schistosoma mansoni hypothetical protein 0.0037 0.0704 0.0704
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0761 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1665 0.4976
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0088 0.1061
Brugia malayi PHD-finger family protein 0.0012 0.0012 0.0043
Echinococcus multilocularis geminin 0.0381 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0024
Schistosoma mansoni hypothetical protein 0.0012 0.0012 0.0012
Brugia malayi jmjC domain containing protein 0.0011 0.0008 0.0029
Onchocerca volvulus 0.0039 0.0761 1
Schistosoma mansoni hypothetical protein 0.0017 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.006 0.1332 0.398
Loa Loa (eye worm) hypothetical protein 0.0039 0.0761 0.2273
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0853 0.2548
Echinococcus granulosus phd:f box containing protein 0.0011 0.0008 0.0008
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0165 0.0587
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.0012 0.0158
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0853 0.0853
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.00000000013615 0.0000000017901
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.0425 0.5015
Echinococcus granulosus GPCR family 2 0.0017 0.0165 0.0165
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0191 0.2427
Mycobacterium leprae Probable lipase LipE 0.0039 0.0761 0.5
Mycobacterium ulcerans beta-lactamase 0.0039 0.0761 0.5
Echinococcus granulosus JmjC domain containing protein 4 0.0011 0.0008 0.0008
Brugia malayi jmjC domain containing protein 0.0115 0.2817 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0704 0.2499
Brugia malayi PHD-finger family protein 0.0035 0.0652 0.2316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2481 0.2481
Echinococcus multilocularis JmjC domain containing protein 4 0.0011 0.0008 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2481 0.2481
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0853 0.0853
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0652 0.1949
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0165 0.0165
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1025 0.1025
Loa Loa (eye worm) hypothetical protein 0.0054 0.1168 0.349
Echinococcus multilocularis phd:f box containing protein 0.0011 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0381 1 1
Onchocerca volvulus 0.0039 0.0761 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0008 0.0024
Mycobacterium ulcerans lipase LipD 0.0039 0.0761 0.5
Leishmania major hypothetical protein, conserved 0.0039 0.0761 1
Echinococcus granulosus bloom syndrome protein 0.0027 0.0425 0.0425
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0165 0.0587
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.2481 0.7414
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0761 0.0761
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0012 0.0051
Schistosoma mansoni phosphatidylserine receptor 0.0011 0.0008 0.0008
Brugia malayi AF-10 protein 0.0012 0.0012 0.0043
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0008 0.0024
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0853 0.0853
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0652 0.8577
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0761 0.0761
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0652 0.0652
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0761 0.27
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0036
Echinococcus granulosus peregrin 0.0035 0.0652 0.0652
Schistosoma mansoni hypothetical protein 0.0017 0.0165 0.0165
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0012 0.0012 0.0184
Loa Loa (eye worm) hypothetical protein 0.0039 0.0761 0.2273
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0761 0.2273
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.2481 0.2481
Trichomonas vaginalis esterase, putative 0.0039 0.0761 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.3346 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2176 0.2176

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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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