Detailed information for compound 1500139

Basic information

Technical information
  • TDR Targets ID: 1500139
  • Name: N-ethyl-4-(methyl-phenylsulfamoyl)-N-[2-oxo-2 -(thiophen-2-ylmethylamino)ethyl]benzamide
  • MW: 471.592 | Formula: C23H25N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.01 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1ccc(cc1)S(=O)(=O)N(c1ccccc1)C)CC(=O)NCc1cccs1
  • InChi: 1S/C23H25N3O4S2/c1-3-26(17-22(27)24-16-20-10-7-15-31-20)23(28)18-11-13-21(14-12-18)32(29,30)25(2)19-8-5-4-6-9-19/h4-15H,3,16-17H2,1-2H3,(H,24,27)
  • InChiKey: HRDJVZUVYMLVFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-ethyl-4-(methyl-phenyl-sulfamoyl)-N-[2-oxo-2-(2-thienylmethylamino)ethyl]benzamide
  • N-ethyl-4-(methyl-phenylsulfamoyl)-N-[2-oxo-2-(2-thienylmethylamino)ethyl]benzamide
  • N-ethyl-N-[2-keto-2-(2-thienylmethylamino)ethyl]-4-(methyl-phenyl-sulfamoyl)benzamide
  • N-ethyl-4-(methyl-phenyl-sulfamoyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
  • T5273419
  • ZINC02665036

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
Trypanosoma brucei cytochrome P450, putative 0.003 0.6775 0.5741
Echinococcus multilocularis 0.0021 0.4036 0.4186
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.4036 0.4186
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.8806 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0602 0.0602
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.7596 1
Schistosoma mansoni hypothetical protein 0.0021 0.4036 0.3713
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.8806 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.985 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.8806 1
Loa Loa (eye worm) inositol-1 0.0036 0.8806 0.8806
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.8806 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.8806 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.8806 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.8791 0.9981
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.8806 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.8806 1
Loa Loa (eye worm) CYP4Cod1 0.003 0.6775 0.6775
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.8791 0.9981
Leishmania major cytochrome p450-like protein 0.003 0.6775 0.5741
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.8806 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.8791 0.8791
Loa Loa (eye worm) cytochrome P450 0.0021 0.4036 0.4036
Brugia malayi Cytochrome P450 family protein 0.003 0.6775 0.6568
Trypanosoma cruzi cytochrome P450, putative 0.003 0.6775 0.5741
Schistosoma mansoni cytochrome P450 0.0021 0.4036 0.3713
Schistosoma mansoni inositol monophosphatase 0.0036 0.8806 0.8871
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.8806 1
Loa Loa (eye worm) cytochrome P450 family protein 0.004 1 1
Brugia malayi Inositol-1 0.0036 0.8806 0.873
Brugia malayi Cytochrome P450 family protein 0.0021 0.4036 0.3654
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.8791 0.8714
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.8806 1
Trypanosoma cruzi cytochrome P450, putative 0.003 0.6775 0.5741
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.8806 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.6775 0.5741
Brugia malayi Cytochrome P450 family protein 0.003 0.6775 0.6568
Brugia malayi cytochrome P450 0.0021 0.4036 0.3654
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.985 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.7268 0.7268
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.6775 0.6775
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.7596 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.8806 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.6775 0.6775
Schistosoma mansoni inositol monophosphatase 0.0036 0.8806 0.8871

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 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) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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