Detailed information for compound 1434689

Basic information

Technical information
  • TDR Targets ID: 1434689
  • Name: N-[2-[(2-methoxyphenyl)amino]cyclohexyl]-4-me thylbenzenesulfonamide
  • MW: 374.497 | Formula: C20H26N2O3S
  • H donors: 2 H acceptors: 2 LogP: 4.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC1CCCCC1NS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C20H26N2O3S/c1-15-11-13-16(14-12-15)26(23,24)22-18-8-4-3-7-17(18)21-19-9-5-6-10-20(19)25-2/h5-6,9-14,17-18,21-22H,3-4,7-8H2,1-2H3
  • InChiKey: FVBGQMCHPJUFFP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(2-methoxyphenyl)amino]cyclohexyl]-4-methyl-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 0.0072 0.009 0.0346
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.016 0.0367 0.0367
Echinococcus granulosus frizzled 0.0133 0.0281 0.0308
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0058 0.0058
Trichomonas vaginalis ap endonuclease, putative 0.0055 0.0038 0.0517
Brugia malayi Fz domain containing protein 0.0061 0.0055 0.0756
Loa Loa (eye worm) hypothetical protein 0.0141 0.0306 0.0342
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0055 0.0038 1
Schistosoma mansoni hypothetical protein 0.0502 0.1441 0.5571
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0055 0.0038 0.0517
Schistosoma mansoni wnt inhibitor frzb2 0.0061 0.0055 0.0213
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0055 0.0038 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0223
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0141 0.0306 1
Echinococcus granulosus geminin 0.0502 0.1441 0.1578
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0055 0.0038 0.0041
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0072 0.009 0.1232
Toxoplasma gondii exonuclease III APE 0.0055 0.0038 1
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0133 0.0281 0.3865
Echinococcus granulosus tar DNA binding protein 0.0062 0.0058 0.0063
Echinococcus multilocularis geminin 0.0502 0.1441 0.1441
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0223
Schistosoma mansoni frizzled-like receptor 0.0072 0.009 0.0346
Echinococcus multilocularis secreted frizzled protein 5 0.0061 0.0055 0.0055
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0055 0.0038 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0736 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0223
Loa Loa (eye worm) MBCTL1 0.016 0.0367 0.041
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0055 0.0038 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.016 0.0367 0.5042
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0133 0.0281 0.0315
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0151 0.0585
Loa Loa (eye worm) hypothetical protein 0.0061 0.0055 0.0062
Loa Loa (eye worm) hypothetical protein 0.0072 0.009 0.01
Brugia malayi Fz domain containing protein 0.0061 0.0055 0.0756
Mycobacterium leprae Probable lipase LipE 0.0043 0 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.002 0.0022
Schistosoma mansoni ap endonuclease 0.0055 0.0038 0.0145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0151 0.0151
Loa Loa (eye worm) mbt repeat family protein 0.0141 0.0306 0.0342
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0223
Echinococcus multilocularis histone acetyltransferase MYST2 0.016 0.0367 0.0367
Echinococcus granulosus secreted frizzled protein 5 0.0061 0.0055 0.006
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0055 0.0038 1
Echinococcus multilocularis frizzled 10 0.0133 0.0281 0.0281
Mycobacterium ulcerans glutaminase 0.0275 0.0727 1
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.002 0.521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0151 0.0166
Echinococcus granulosus frizzled 5 0.0133 0.0281 0.0308
Echinococcus multilocularis frizzled 5 0.0133 0.0281 0.0281
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0151 0.0169
Echinococcus granulosus frizzled 0.0133 0.0281 0.0308
Brugia malayi hypothetical protein 0.005 0.002 0.0269
Echinococcus granulosus secreted frizzled protein 0.0061 0.0055 0.006
Schistosoma mansoni sex comb on midleg homolog 0.0141 0.0306 0.1182
Schistosoma mansoni hypothetical protein 0.0072 0.009 0.0346
Echinococcus multilocularis frizzled 0.0133 0.0281 0.0281
Onchocerca volvulus 0.0061 0.0055 0.18
Schistosoma mansoni hypothetical protein 0.0695 0.2048 0.7917
Brugia malayi glutaminase DH11.1 0.0275 0.0727 1
Echinococcus multilocularis secreted frizzled protein 0.0061 0.0055 0.0055
Loa Loa (eye worm) RNA binding protein 0.0062 0.0058 0.0064
Schistosoma mansoni secreted frizzled-related protein 0.0061 0.0055 0.0213
Schistosoma mansoni hypothetical protein 0.0072 0.009 0.0346
Mycobacterium leprae conserved hypothetical protein 0.0043 0 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0141 0.0306 0.1182
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0151 0.0151
Brugia malayi Hint module family protein 0.0259 0.0678 0.932
Onchocerca volvulus 0.0141 0.0306 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.0678 0.0758
Brugia malayi mbt repeat family protein 0.0141 0.0306 0.4201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0151 0.0585
Echinococcus multilocularis smoothened 0.2951 0.9131 0.9131
Schistosoma mansoni frizzled-like receptor 0.0133 0.0281 0.1087
Echinococcus granulosus frizzled 0.0133 0.0281 0.0308
Loa Loa (eye worm) glutaminase 0.0275 0.0727 0.0814
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0133 0.0281 0.3865
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0151 0.0585
Loa Loa (eye worm) hypothetical protein 0.0259 0.0678 0.0758
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0232 0.0259
Schistosoma mansoni frizzled-like receptor 0.0133 0.0281 0.1087
Brugia malayi MH2 domain containing protein 0.0117 0.0232 0.3183
Echinococcus multilocularis frizzled 0.0133 0.0281 0.0281
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0151 0.208
Trichomonas vaginalis ap endonuclease, putative 0.0055 0.0038 0.0517
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.002 0.521
Schistosoma mansoni hypothetical protein 0.0867 0.2586 1
Leishmania major hypothetical protein, conserved 0.005 0.002 0.521
Treponema pallidum exodeoxyribonuclease (exoA) 0.0055 0.0038 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0141 0.0306 0.1182
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0055 0.0038 0.0511
Loa Loa (eye worm) hypothetical protein 0.0061 0.0055 0.0062
Schistosoma mansoni ap endonuclease 0.0055 0.0038 0.0145
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0055 0.0038 0.0042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0151 0.0166
Loa Loa (eye worm) hypothetical protein 0.0072 0.009 0.01
Loa Loa (eye worm) hypothetical protein 0.0072 0.009 0.01
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0058 0.0064
Brugia malayi mbt repeat family protein 0.0141 0.0306 0.4201
Schistosoma mansoni frizzled-like receptor 0.0072 0.009 0.0346
Loa Loa (eye worm) hypothetical protein 0.016 0.0367 0.041
Brugia malayi exodeoxyribonuclease III family protein 0.0055 0.0038 0.0517
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0055 0.0038 1
Echinococcus multilocularis polycomb protein SCMH1 0.0141 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.289 0.8939 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0058 0.0064
Echinococcus granulosus polycomb protein SCMH1 0.0141 0.0306 0.0335
Brugia malayi Hint module family protein 0.0259 0.0678 0.932
Echinococcus granulosus histone acetyltransferase MYST2 0.016 0.0367 0.0402
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0058 0.0793
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0133 0.0281 0.0315
Loa Loa (eye worm) sfrp2 0.0061 0.0055 0.0062
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0232 0.0259
Brugia malayi RNA binding protein 0.0062 0.0058 0.0793
Echinococcus granulosus SAM and MBT domain containing protein 0.0141 0.0306 0.0335
Echinococcus granulosus Desert hedgehog protein 0.0955 0.2862 0.3134
Echinococcus multilocularis SAM and MBT domain containing protein 0.0141 0.0306 0.0306
Schistosoma mansoni glutaminase 0.0275 0.0727 0.2813
Echinococcus multilocularis secreted frizzled protein 0.0061 0.0055 0.0055
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0566 0.1641 0.1641
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.002 0.521
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0055 0.0038 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0055 0.0038 0.0038
Schistosoma mansoni frizzled 0.0133 0.0281 0.1087
Echinococcus multilocularis hedgehog 0.0955 0.2862 0.2862
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0566 0.1641 0.1797
Echinococcus granulosus smoothened 0.2951 0.9131 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0055 0.0038 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0055 0.0038 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0223
Schistosoma mansoni myelin transcription factor 1 myt1 0.016 0.0367 0.1418
Echinococcus granulosus frizzled 4 0.0133 0.0281 0.0308
Trichomonas vaginalis glutaminase, putative 0.0275 0.0727 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.016 0.0367 0.0402
Schistosoma mansoni hypothetical protein 0.0502 0.1441 0.5571
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.002 0.521
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0072 0.009 0.01
Echinococcus multilocularis frizzled 4 0.0133 0.0281 0.0281
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.002 0.521
Brugia malayi TAR-binding protein 0.0062 0.0058 0.0793
Loa Loa (eye worm) glutaminase 2 0.0275 0.0727 0.0814

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 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) = 10 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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