Detailed information for compound 1283782

Basic information

Technical information
  • TDR Targets ID: 1283782
  • Name: 2-[(2-methoxy-5-methylphenyl)-(4-methylphenyl )sulfonylamino]acetamide
  • MW: 348.417 | Formula: C17H20N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1N(S(=O)(=O)c1ccc(cc1)C)CC(=O)N)C
  • InChi: 1S/C17H20N2O4S/c1-12-4-7-14(8-5-12)24(21,22)19(11-17(18)20)15-10-13(2)6-9-16(15)23-3/h4-10H,11H2,1-3H3,(H2,18,20)
  • InChiKey: OMRGLSTUAPLRIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]acetamide
  • 2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide
  • MLS000110851
  • SMR000106780
  • Oprea1_283174
  • AG-690/15439547
  • ZINC00379854
  • 2-[(2-Methoxy-5-methyl-phenyl)-(toluene-4-sulfonyl)-amino]-acetamide
  • BAS 02187733
  • Oprea1_433245

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) 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
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0044 0.1234 0.5
Plasmodium falciparum glutathione reductase 0.0126 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0126 1 0.5
Brugia malayi Thioredoxin reductase 0.0126 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0044 0.1234 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0044 0.1234 0.5
Toxoplasma gondii thioredoxin reductase 0.0126 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0044 0.1234 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0126 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0044 0.1234 0.1234
Trypanosoma brucei trypanothione reductase 0.0126 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0126 1 1
Plasmodium falciparum thioredoxin reductase 0.0126 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0126 1 1
Loa Loa (eye worm) glutathione reductase 0.0126 1 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0044 0.1234 0.5
Treponema pallidum NADH oxidase 0.0044 0.1234 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0044 0.1234 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0126 1 1
Leishmania major trypanothione reductase 0.0126 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0044 0.1234 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0126 1 1
Trichomonas vaginalis mercuric reductase, putative 0.0044 0.1234 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0044 0.1234 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0044 0.1234 0.5
Plasmodium vivax glutathione reductase, putative 0.0126 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 25.0594 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
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
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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