Detailed information for compound 1312630

Basic information

Technical information
  • TDR Targets ID: 1312630
  • Name: 3-(3-methoxyphenyl)-2-propylquinazolin-4-one
  • MW: 294.348 | Formula: C18H18N2O2
  • H donors: 0 H acceptors: 1 LogP: 3.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nc2ccccc2c(=O)n1c1cccc(c1)OC
  • InChi: 1S/C18H18N2O2/c1-3-7-17-19-16-11-5-4-10-15(16)18(21)20(17)13-8-6-9-14(12-13)22-2/h4-6,8-12H,3,7H2,1-2H3
  • InChiKey: MAPVNYZODLMMEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-methoxyphenyl)-2-propyl-quinazolin-4-one
  • 3-(3-methoxyphenyl)-2-propyl-4-quinazolinone
  • 3-(3-methoxyphenyl)-2-propyl-4(3H)-quinazolinone
  • AO-567/40646944
  • SMR000070993
  • STOCK2S-29125
  • MLS000062187
  • 3-(3-Methoxy-phenyl)-2-propyl-3H-quinazolin-4-one
  • BAS 03551023
  • ZINC00383835

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 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
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
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
Trypanosoma cruzi target of rapamycin kinase 3 0.0406 0.7418 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0171 0.1579 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.4161 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0406 0.7408 0.7408
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0212 0.2592 0.1204
Giardia lamblia GTOR 0.051 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0379 0.6753 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.051 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0305 0.4901 0.4901
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0406 0.7418 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.4171 0.4171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0342 0.5829 0.5829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0171 0.1579 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0379 0.6753 0.6753
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.051 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.051 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0331 0.5555 0.5555
Trichomonas vaginalis PIKK family atypical protein kinase 0.0379 0.6753 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.051 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0379 0.6753 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.4171 0.4171
Loa Loa (eye worm) phosphatidylinositol 3 0.0171 0.1579 0.1579
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.051 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.051 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0305 0.4901 0.4901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0379 0.6753 0.6753
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0241 0.3322 0.207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0729 0.0729
Trichomonas vaginalis PIKK family atypical protein kinase 0.0379 0.6753 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0406 0.7408 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0171 0.1579 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.4161 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0305 0.4901 0.4901
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.051 1 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.051 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.051 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.051 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0171 0.1579 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.051 1 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.051 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0406 0.7408 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0406 0.7408 0.7408
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.051 1 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.051 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0379 0.6753 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0435 0.8147 0.8147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0171 0.1579 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0379 0.6753 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.4171 0.4171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0406 0.7408 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0302 0.4826 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.4161 0.4161
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0406 0.7418 0.6934
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.051 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.4171 0.4171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0302 0.4826 0.4826

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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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