Detailed information for compound 1451462

Basic information

Technical information
  • TDR Targets ID: 1451462
  • Name: 2-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]c arbamoyl]cyclohexane-1-carboxylic acid
  • MW: 430.517 | Formula: C22H26N2O5S
  • H donors: 3 H acceptors: 5 LogP: 3.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)C1CCCCC1C(=O)O
  • InChi: 1S/C22H26N2O5S/c1-14-11-15(2)13-17(12-14)24-30(28,29)18-9-7-16(8-10-18)23-21(25)19-5-3-4-6-20(19)22(26)27/h7-13,19-20,24H,3-6H2,1-2H3,(H,23,25)(H,26,27)
  • InChiKey: BADFKMASZGUKLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid
  • T0510-6792
  • MLS000394823
  • SMR000242903

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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 hypothetical protein 0.0026 0.0226 0.0226
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0226 0.5
Brugia malayi Choline O-acetyltransferase 0.0045 0.0681 0.0681
Schistosoma mansoni lamin 0.0033 0.0379 0.5567
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0226 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0045 0.0681 0.1238
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.5498 0.5498
Brugia malayi intermediate filament protein 0.0033 0.0379 0.0379
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0017 0.0017
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0045 0.0681 0.0862
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0045 0.0681 0.1238
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0045 0.0681 0.0681
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0045 0.0681 0.0681
Onchocerca volvulus 0.0045 0.0681 1
Echinococcus granulosus lamin dm0 0.0033 0.0379 0.0689
Loa Loa (eye worm) hypothetical protein 0.0434 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0681 0.0862
Trypanosoma brucei hypothetical protein, conserved 0.0045 0.0681 1
Echinococcus multilocularis lamin 0.0033 0.0379 0.0689
Loa Loa (eye worm) choline O-acetyltransferase 0.0045 0.0681 0.0681
Brugia malayi hypothetical protein 0.0017 0.0004 0.0004
Echinococcus granulosus choline O acetyltransferase 0.0045 0.0681 0.1238
Echinococcus multilocularis lamin dm0 0.0033 0.0379 0.0689
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0226 0.5
Schistosoma mansoni lamin 0.0033 0.0379 0.5567
Onchocerca volvulus 0.0045 0.0681 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0681 0.0862
Loa Loa (eye worm) hypothetical protein 0.0032 0.0365 0.0365
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0681 0.0862
Schistosoma mansoni choline o-acyltransferase 0.0045 0.0681 1
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0045 0.0681 1
Echinococcus multilocularis choline O acetyltransferase 0.0045 0.0681 0.1238
Leishmania major carnitine palmitoyltransferase-like protein 0.0045 0.0681 0.0862
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0017 0.0017
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0045 0.0681 1
Onchocerca volvulus 0.0045 0.0681 1
Brugia malayi Choline O-acetyltransferase 0.0045 0.0681 0.0681
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0246 0.5505 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0379 0.0379
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0246 0.5505 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0246 0.5505 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0379 0.5567
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0226 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0246 0.5505 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0045 0.0681 0.0681
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0045 0.0681 0.0862
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.5498 0.5498
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0681 0.0862
Echinococcus granulosus intermediate filament protein 0.0033 0.0379 0.0689
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0045 0.0681 0.0862
Leishmania major carnitine/choline acetyltransferase, putative 0.0045 0.0681 0.0862
Loa Loa (eye worm) hypothetical protein 0.0026 0.0226 0.0226
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0681 0.0862
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0045 0.0681 0.0862
Brugia malayi MH2 domain containing protein 0.0246 0.5498 0.5498
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0045 0.0681 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0045 0.0681 1
Schistosoma mansoni choline o-acyltransferase 0.0045 0.0681 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0379 0.0379
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0045 0.0681 0.0681
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0045 0.0681 0.0862
Echinococcus multilocularis musashi 0.0033 0.0379 0.0689
Echinococcus granulosus lamin 0.0033 0.0379 0.0689
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0045 0.0681 0.0862
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0379 0.0379
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0379 0.0379
Onchocerca volvulus 0.0045 0.0681 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0246 0.5505 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0681 0.0681

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 50.1187 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) 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
Homo sapiens 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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