Detailed information for compound 1429443

Basic information

Technical information
  • TDR Targets ID: 1429443
  • Name: 4-oxo-3-(oxolan-2-yl)-4-(phenylmethylamino)bu tanoic acid
  • MW: 277.316 | Formula: C15H19NO4
  • H donors: 2 H acceptors: 3 LogP: 0.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC(C(=O)NCc1ccccc1)C1CCCO1
  • InChi: 1S/C15H19NO4/c17-14(18)9-12(13-7-4-8-20-13)15(19)16-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)
  • InChiKey: HDAKFCCLKXJUIJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-oxo-4-(phenylmethylamino)-3-tetrahydrofuran-2-yl-butanoic acid
  • 4-oxo-4-(phenylmethylamino)-3-(2-tetrahydrofuranyl)butanoic acid
  • 4-(benzylamino)-4-keto-3-(tetrahydrofuryl)butyric acid
  • EU-0034820
  • STOCK2S-02302
  • BAS 00341208
  • N-Benzyl-3-(tetrahydro-furan-2-yl)-succinamic acid
  • MLS000079015
  • SMR000034117
  • Oprea1_016047
  • Oprea1_250652

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Onchocerca volvulus 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
Schistosoma mansoni intermediate filament proteins 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 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 granulosus 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
Schistosoma japonicum ko:K07611 lamin, putative 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
Echinococcus granulosus 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 Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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 lamin 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 lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Loa Loa (eye worm) 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.8328 0.8328
Trypanosoma cruzi hypothetical protein, conserved 0.0036 1 0.5
Toxoplasma gondii kringle domain-containing protein 0.0036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.8328 0.8328
Brugia malayi Kringle domain containing protein 0.0036 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.8328 0.8328
Leishmania major hypothetical protein, conserved 0.0036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 1 1
Onchocerca volvulus 0.0033 0.8328 0.7004
Plasmodium falciparum cysteine repeat modular protein 1 0.0036 1 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.8328 0.7004
Loa Loa (eye worm) DOMON domain-containing protein 0.0025 0.4421 0.4421
Onchocerca volvulus 0.0036 1 1
Echinococcus granulosus tissue type plasminogen activator 0.0036 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.0036 1 1
Brugia malayi intermediate filament protein 0.0033 0.8328 0.8328
Loa Loa (eye worm) hypothetical protein 0.0032 0.8 0.8
Schistosoma mansoni hypothetical protein 0.0036 1 1
Brugia malayi SEA domain containing protein 0.0025 0.4421 0.4421
Loa Loa (eye worm) hypothetical protein 0.0025 0.4421 0.4421
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.4421 0.4421
Schistosoma mansoni lamin 0.0033 0.8328 0.7004
Loa Loa (eye worm) TK/ROR protein kinase 0.0036 1 1
Schistosoma mansoni lamin 0.0033 0.8328 0.7004
Brugia malayi Muscle positioning protein 4 0.0025 0.4421 0.4421
Onchocerca volvulus 0.0033 0.8328 0.7004
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.8328 0.8328

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1778 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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

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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