Detailed information for compound 1400265

Basic information

Technical information
  • TDR Targets ID: 1400265
  • Name: N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxyace tamide
  • MW: 287.314 | Formula: C15H17N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ncnc2c1cccc2)NCC1CCCO1
  • InChi: 1S/C15H17N3O3/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-2,5-6,10-11H,3-4,7-9H2,(H,16,19)
  • InChiKey: WSDBQRBPVHCKRH-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-quinazolin-4-yloxy-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-(4-quinazolinyloxy)-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-quinazolin-4-yloxy-N-(tetrahydrofurfuryl)acetamide
  • N-(oxolan-2-ylmethyl)-2-quinazolin-4-yloxy-ethanamide
  • MLS000771137
  • SMR000376052
  • Oprea1_225111

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 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 japonicum ko:K07611 lamin, putative 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 tail domain containing 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) intermediate filament 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 cytoplasmic 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
Loa Loa (eye worm) hypothetical 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
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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis 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 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
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
Echinococcus granulosus lamin dm0 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.6344 0.4504
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.6344 0.4504
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.6344 0.4504
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.6344 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.6344 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.6344 0.6344
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.6344 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.6344 0.4504
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.6344 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.6344 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.6344 0.6344
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.6344 0.6344
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.6344 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.4031 0.4031
Loa Loa (eye worm) hypothetical protein 0.0023 0.6344 0.6344
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.6344 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.6344 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.6344 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 0.6344 0.4504
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.6344 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.6344 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.6344 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.6344 1
Echinococcus granulosus dna polymerase eta 0.0023 0.6344 0.4504
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3489 0.55
Trypanosoma brucei unspecified product 0.0016 0.3489 0.55
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.6344 0.6344
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Trypanosoma brucei unspecified product 0.0023 0.6344 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Leishmania major DNA polymerase eta, putative 0.0023 0.6344 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.6344 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.3113 0.3113
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.6344 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.6344 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.9765 0.9765
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3489 0.55
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.4031 0.4031
Loa Loa (eye worm) hypothetical protein 0.0016 0.3349 0.3349
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.6344 0.6344
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.6344 0.6344
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.6344 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3489 0.55
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.6344 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.6344 1
Trypanosoma brucei unspecified product 0.0016 0.3489 0.55
Loa Loa (eye worm) hypothetical protein 0.0015 0.3113 0.3113
Giardia lamblia DINP protein human, muc B family 0.0023 0.6344 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (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) 24.5297 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP1 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489043, AID492948] ChEMBL. No reference
Potency (functional) 27.5227 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: V1B Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] ChEMBL. No reference
Potency (functional) 30.881 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: THP1 Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 34.6491 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP2 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] 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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