Detailed information for compound 1453653

Basic information

Technical information
  • TDR Targets ID: 1453653
  • Name: 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quin azolin-5-one
  • MW: 247.293 | Formula: C13H17N3O2
  • H donors: 0 H acceptors: 3 LogP: 0.86 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC(=O)c2c(C1)nc(nc2)N1CCOCC1
  • InChi: 1S/C13H17N3O2/c1-9-6-11-10(12(17)7-9)8-14-13(15-11)16-2-4-18-5-3-16/h8-9H,2-7H2,1H3
  • InChiKey: ZKABXXZMAQOZCR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methyl-2-morpholino-7,8-dihydro-6H-quinazolin-5-one
  • 7-methyl-2-(4-morpholinyl)-7,8-dihydro-5(6H)-quinazolinone
  • MLS000538630
  • SMR000144667
  • A3769/0159903

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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 receptor type guanylyl cyclase 0.0092 0.042 0.042
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0252 0.1788 0.1767
Leishmania major extracellular receptor, putative 0.0092 0.042 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.042 0.0396
Schistosoma mansoni metabotropic glutamate receptor 0.0479 0.3735 0.3976
Loa Loa (eye worm) hypothetical protein 0.0052 0.007 0.0044
Loa Loa (eye worm) hypothetical protein 0.0092 0.042 0.0396
Entamoeba histolytica hypothetical protein 0.0092 0.042 0.5
Onchocerca volvulus 0.0092 0.042 0.3417
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0823 0.6686 0.6686
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0092 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0092 0.042 0.0396
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0092 0.042 0.0396
Loa Loa (eye worm) hypothetical protein 0.121 1 1
Echinococcus multilocularis tumor protein p63 0.0393 0.3 0.3
Loa Loa (eye worm) glutamate receptor 0.0983 0.8053 0.8048
Echinococcus granulosus atrial natriuretic peptide receptor 0.0092 0.042 0.042
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0092 0.042 0.042
Onchocerca volvulus 0.0092 0.042 0.3417
Trypanosoma cruzi extracellular receptor, putative 0.0092 0.042 0.5
Echinococcus multilocularis glutamate receptor 2 0.0092 0.042 0.042
Loa Loa (eye worm) RGC/RGC protein kinase 0.0092 0.042 0.0396
Loa Loa (eye worm) hypothetical protein 0.0252 0.1788 0.1767
Schistosoma mansoni tyrosine kinase 0.0092 0.042 0.0329
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0092 0.042 0.042
Echinococcus granulosus receptor type guanylyl cyclase 0.0092 0.042 0.042
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0092 0.042 0.042
Brugia malayi Metabotropic glutamate receptor precursor. 0.0983 0.8053 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0092 0.042 0.042
Echinococcus multilocularis metabotropic glutamate receptor 5 0.121 1 1
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0092 0.042 0.0396
Schistosoma mansoni tyrosine kinase 0.0092 0.042 0.0329
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0891 0.7261 0.9013
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0092 0.042 0.0493
Echinococcus multilocularis glutamate receptor 2 0.0092 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0058 0.0122 0.0097
Schistosoma mansoni hypothetical protein 0.016 0.0996 0.0962
Schistosoma mansoni protein kinase 0.0092 0.042 0.0329
Loa Loa (eye worm) RGC/RGC protein kinase 0.0092 0.042 0.0396
Loa Loa (eye worm) glutamate receptor 0.0387 0.2942 0.2925
Loa Loa (eye worm) hypothetical protein 0.0049 0.005 0.0025
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0092 0.042 0.042
Brugia malayi hypothetical protein 0.0092 0.042 0.0493
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0092 0.042 0.3417
Echinococcus granulosus tumor protein p63 0.0393 0.3 0.3
Brugia malayi Bromodomain containing protein 0.0091 0.0404 0.0473
Echinococcus multilocularis nmda type glutamate receptor 0.0092 0.042 0.042
Echinococcus granulosus tyrosine kinase 0.0092 0.042 0.042
Schistosoma mansoni glutamate receptor NMDA 0.0092 0.042 0.0329
Echinococcus multilocularis tyrosine kinase 0.0092 0.042 0.042
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0092 0.042 0.042
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.1118 0.9208 1
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.016 0.0996 1
Onchocerca volvulus Poor gastrulation protein homolog 0.016 0.0996 1
Echinococcus multilocularis GPCR, family 3, C terminal 0.016 0.0996 0.0996
Brugia malayi metabotropic glutamate receptor type 2 0.0479 0.3735 0.4621
Echinococcus granulosus nmda type glutamate receptor 0.0092 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0092 0.042 0.0396
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0092 0.042 0.042
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0252 0.1788 0.1767
Echinococcus granulosus glutamate receptor 2 0.0092 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0092 0.042 0.0396
Schistosoma mansoni metabotropic glutamate receptor 0.0823 0.6686 0.7224
Loa Loa (eye worm) RGC/RGC protein kinase 0.0092 0.042 0.0396
Schistosoma mansoni bromodomain containing protein 0.0076 0.0283 0.0178
Brugia malayi metabotropic GABA-B receptor subtype 2 0.016 0.0996 0.1209
Brugia malayi Receptor family ligand binding region containing protein 0.0092 0.042 0.0493
Echinococcus granulosus GPCR family 3 C terminal 0.016 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.016 0.0996 0.0973
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0092 0.042 0.0396
Echinococcus granulosus metabotropic glutamate receptor 2 0.0823 0.6686 0.6686
Loa Loa (eye worm) hypothetical protein 0.0085 0.036 0.0336
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0092 0.042 0.042
Echinococcus granulosus glutamate receptor 2 0.0092 0.042 0.042
Brugia malayi Receptor family ligand binding region containing protein 0.0252 0.1788 0.2196
Brugia malayi Guanylyl cyclase protein 23 0.0092 0.042 0.0493

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 29.0929 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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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