Detailed information for compound 1426916

Basic information

Technical information
  • TDR Targets ID: 1426916
  • Name: N,N'-diethyl-N,N'-di(phenyl)butanediamide
  • MW: 324.417 | Formula: C20H24N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.94 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccccc1)C(=O)CCC(=O)N(c1ccccc1)CC
  • InChi: 1S/C20H24N2O2/c1-3-21(17-11-7-5-8-12-17)19(23)15-16-20(24)22(4-2)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
  • InChiKey: PJOBXNUJHQBTRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N'-diethyl-N,N'-di(phenyl)succinamide
  • MLS000706560
  • N~1~,N~4~-diethyl-N~1~,N~4~-diphenylsuccinamide
  • SMR000228798
  • AN-329/41583598
  • ARONIS004845
  • ZINC02135786
  • STK001382

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma 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
Echinococcus multilocularis ornithine aminotransferase 0.0167 0.1232 0.8468
Echinococcus multilocularis ornithine aminotransferase 0.0167 0.1232 0.8468
Trypanosoma brucei PAB1-binding protein , putative 0.0057 0.0272 0.5
Onchocerca volvulus 0.0169 0.1248 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.1173 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.1455 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.1455 1
Leishmania major hypothetical protein, conserved 0.0057 0.0272 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.011 0.0758
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.1817 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0272 0.5
Loa Loa (eye worm) hypothetical protein 0.0169 0.1248 0.6669
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1173 1 1
Plasmodium falciparum ornithine aminotransferase 0.0167 0.1232 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1173 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0192 0.1455 0.7878
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0167 0.1232 0.6599
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.1455 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.011 0.0077
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.1817 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0264 0.0899
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0264 0.0969
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0192 0.1455 0.7894
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0272 0.5
Brugia malayi hypothetical protein 0.0057 0.0272 0.1016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0264 0.0899
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1173 1 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0167 0.1232 1
Brugia malayi hypothetical protein 0.0169 0.1248 0.6695
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0264 0.0969
Loa Loa (eye worm) hypothetical protein 0.0057 0.0272 0.0947
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.1455 1
Echinococcus granulosus ornithine aminotransferase 0.0167 0.1232 0.8468
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0167 0.1232 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.1455 1
Echinococcus multilocularis Aminotransferase class III 0.0167 0.1232 0.8468
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0167 0.1232 0.8468
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0167 0.1232 0.5
Echinococcus granulosus Aminotransferase class III 0.0167 0.1232 0.8468
Brugia malayi MH2 domain containing protein 0.0234 0.1817 1
Mycobacterium ulcerans hypothetical protein 0.1173 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.1455 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.1455 1
Plasmodium vivax ornithine aminotransferase, putative 0.0167 0.1232 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 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) 4.6535 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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