Detailed information for compound 1518791

Basic information

Technical information
  • TDR Targets ID: 1518791
  • Name: N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(thiophen -2-ylmethylamino)acetamide; formic acid
  • MW: 427.538 | Formula: C18H25N3O5S2
  • H donors: 4 H acceptors: 5 LogP: 2.01 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NS(=O)(=O)c1ccc(cc1)NC(=O)CNCc1cccs1)C.OC=O
  • InChi: 1S/C17H23N3O3S2.CH2O2/c1-3-13(2)20-25(22,23)16-8-6-14(7-9-16)19-17(21)12-18-11-15-5-4-10-24-15;2-1-3/h4-10,13,18,20H,3,11-12H2,1-2H3,(H,19,21);1H,(H,2,3)
  • InChiKey: ZOXFXIOWDGKKOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • formic acid; N-[4-(sec-butylsulfamoyl)phenyl]-2-(2-thienylmethylamino)acetamide
  • N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(thiophen-2-ylmethylamino)ethanamide; methanoic acid
  • N-(4-sec-Butylsulfamoyl-phenyl)-2-[(thiophen-2-ylmethyl)-amino]-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.025 0.2286 0.5
Giardia lamblia Farnesyl diphosphate synthase 0.099 1 0.5
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.025 0.2286 0.2286
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.025 0.2286 0.2286
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.025 0.2286 0.5
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.025 0.2286 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.099 1 0.5
Leishmania major polyprenyl synthase, putative 0.025 0.2286 0.2286
Leishmania major farnesyl pyrophosphate synthase 0.099 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.099 1 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.099 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.099 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.099 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.099 1 0.5
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.025 0.2286 0.2286
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.099 1 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.025 0.2286 0.2286
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.099 1 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.099 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.099 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.099 1 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.025 0.2286 0.5
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.025 0.2286 0.2286
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.025 0.2286 0.2286
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.025 0.2286 0.5
Trypanosoma cruzi polyprenyl synthase, putative 0.025 0.2286 0.2286
Treponema pallidum octaprenyl-diphosphate synthase 0.025 0.2286 0.5
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.025 0.2286 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.099 1 0.5
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.099 1 1
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.025 0.2286 0.2286
Echinococcus granulosus farnesyl pyrophosphate synthase 0.099 1 1
Trypanosoma cruzi polyprenyl synthase, putative 0.025 0.2286 0.2286
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.025 0.2286 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.025 0.2286 0.2286
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.025 0.2286 0.2286
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.099 1 1
Trypanosoma cruzi solanesyl-diphosphate synthase 0.025 0.2286 0.2286
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.099 1 1
Brugia malayi Polyprenyl synthetase family protein 0.025 0.2286 0.2286
Leishmania major solanesyl-diphosphate synthase, putative 0.025 0.2286 0.2286

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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 for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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