Detailed information for compound 819298

Basic information

Technical information
  • TDR Targets ID: 819298
  • Name: N-(2-hydroxyethyl)-N'-(4-methoxyphenyl)butane diamide
  • MW: 266.293 | Formula: C13H18N2O4
  • H donors: 3 H acceptors: 3 LogP: -0.43 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)CCC(=O)Nc1ccc(cc1)OC
  • InChi: 1S/C13H18N2O4/c1-19-11-4-2-10(3-5-11)15-13(18)7-6-12(17)14-8-9-16/h2-5,16H,6-9H2,1H3,(H,14,17)(H,15,18)
  • InChiKey: OIBXVOKCKMOYFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-hydroxyethyl)-N'-(4-methoxyphenyl)succinamide
  • ZINC02288943
  • BIM-0015848.P001
  • STOCK1S-08733
  • BAS 00549553
  • N-(2-Hydroxy-ethyl)-N'-(4-methoxy-phenyl)-succinamide
  • CBMicro_015751
  • MLS000855911
  • SMR000286356

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Cell death protein 3 homolog 0.0198 0.3432 0.3237
Brugia malayi intermediate filament protein 0.0033 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0543 1 1
Echinococcus granulosus caspase 2 0.0198 0.3432 0.3237
Echinococcus multilocularis apoptotic protease activating factor 1 0.0198 0.3432 0.3237
Echinococcus granulosus inhibitor of apoptosis protein 0.0543 1 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.3432 0.3432
Loa Loa (eye worm) hypothetical protein 0.0033 0.0288 0.0288
Echinococcus multilocularis caspase 2 0.0198 0.3432 0.3237
Loa Loa (eye worm) hypothetical protein 0.0198 0.3432 0.3432
Schistosoma mansoni hypothetical protein 0.0205 0.3563 0.3372
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0543 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0032 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0543 1 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0543 1 1
Onchocerca volvulus 0.0543 1 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0543 1 1
Schistosoma mansoni inhibitor of apoptosis protein 0.0543 1 1
Echinococcus multilocularis geminin 0.0205 0.3563 0.3372
Schistosoma mansoni hypothetical protein 0.0205 0.3563 0.3372
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0288 0.0288
Echinococcus granulosus geminin 0.0205 0.3563 0.3372
Loa Loa (eye worm) hypothetical protein 0.0543 1 1
Brugia malayi Cell death protein 3 precursor 0.0198 0.3432 0.3432
Schistosoma mansoni hypothetical protein 0.0198 0.3432 0.3237
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0543 1 1
Onchocerca volvulus Deterin homolog 0.0543 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0288 0.0288
Schistosoma mansoni caspase-7 (C14 family) 0.0198 0.3432 0.3237
Onchocerca volvulus 0.0198 0.3432 0.3237
Brugia malayi hypothetical protein 0.0198 0.3432 0.3432
Echinococcus granulosus apoptotic protease activating factor 1 0.0198 0.3432 0.3237
Echinococcus multilocularis inhibitor of apoptosis protein 0.0543 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5805 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 29.081 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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