Detailed information for compound 1541850

Basic information

Technical information
  • TDR Targets ID: 1541850
  • Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethox yphenyl)-N'-(1,3-thiazol-2-yl)butanediamide
  • MW: 432.536 | Formula: C21H28N4O4S
  • H donors: 2 H acceptors: 4 LogP: 2.05 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N(C(=O)CCC(=O)Nc1nccs1)CC(=O)NC(C)(C)C
  • InChi: 1S/C21H28N4O4S/c1-5-29-16-8-6-15(7-9-16)25(14-18(27)24-21(2,3)4)19(28)11-10-17(26)23-20-22-12-13-30-20/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,24,27)(H,22,23,26)
  • InChiKey: UGHWUIRXTHJVLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(tert-butylamino)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-N'-thiazol-2-yl-butanediamide
  • N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-N'-(2-thiazolyl)butanediamide
  • N-[2-(tert-butylamino)-2-keto-ethyl]-N-(4-ethoxyphenyl)-N'-thiazol-2-yl-succinamide
  • N-[2-(tert-butylamino)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-N'-(1,3-thiazol-2-yl)butanediamide
  • ASN 05395296
  • N-(tert-Butylcarbamoyl-methyl)-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pax transcription factor protein 2 0.0466 1 1
Onchocerca volvulus 0.0466 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0448 0.0448
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0112 0.0112
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0046 0.0121 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0448 0.0448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0112 0.9275
Mycobacterium tuberculosis Probable aminotransferase 0.0326 0.6697 1
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.0121 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0046 0.0121 1
Echinococcus granulosus ornithine aminotransferase 0.0046 0.0121 1
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0326 0.6697 1
Echinococcus granulosus Aminotransferase class III 0.0046 0.0121 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0448 0.0448
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0046 0.0121 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0326 0.6697 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0112 0.0112
Echinococcus multilocularis Aminotransferase class III 0.0046 0.0121 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0326 0.6697 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0046 0.0121 0.0121
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0448 0.0448
Plasmodium falciparum ornithine aminotransferase 0.0046 0.0121 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0112 0.9275
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0326 0.6697 1
Plasmodium vivax ornithine aminotransferase, putative 0.0046 0.0121 0.5
Mycobacterium ulcerans hypothetical protein 0.0326 0.6697 1
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.0121 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0112 0.9275
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0046 0.0121 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0029 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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
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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