Detailed information for compound 908687

Basic information

Technical information
  • TDR Targets ID: 908687
  • Name: 3-[(2-hydroxy-5-methoxyphenyl)methylamino]-2- (4-methoxyphenyl)quinazolin-4-one
  • MW: 403.431 | Formula: C23H21N3O4
  • H donors: 2 H acceptors: 2 LogP: 3.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc2ccccc2c(=O)n1NCc1cc(OC)ccc1O
  • InChi: 1S/C23H21N3O4/c1-29-17-9-7-15(8-10-17)22-25-20-6-4-3-5-19(20)23(28)26(22)24-14-16-13-18(30-2)11-12-21(16)27/h3-13,24,27H,14H2,1-2H3
  • InChiKey: WBRRDHYTQGHVBF-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[(2-hydroxy-5-methoxy-phenyl)methylamino]-2-(4-methoxyphenyl)quinazolin-4-one
  • 3-[(2-hydroxy-5-methoxyphenyl)methylamino]-2-(4-methoxyphenyl)-4-quinazolinone
  • 3-[(2-hydroxy-5-methoxy-benzyl)amino]-2-(4-methoxyphenyl)quinazolin-4-one
  • Oprea1_692759

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0015 0.0007 0.0008
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0406 0.0736 0.3769
Plasmodium falciparum stearoyl-CoA desaturase 0.4975 0.9243 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0406 0.0736 1
Leishmania major delta-6 fatty acid desaturase 0.0406 0.0736 0.0736
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0015 0.0007 0.0008
Trypanosoma cruzi fatty acid desaturase, putative 0.0406 0.0736 0.0736
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0015 0.0007 0.0007
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0406 0.0736 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0015 0.0007 0.0008
Trypanosoma cruzi fatty acid desaturase, putative 0.0406 0.0736 0.0736
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0406 0.0736 0.0736
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0406 0.0736 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0015 0.0007 0.5
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0406 0.0736 0.0736
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0406 0.0736 0.3769
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.4975 0.9243 1
Schistosoma mansoni fatty acid desaturase 0.0406 0.0736 0.3769
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0406 0.0736 1
Mycobacterium ulcerans hypothetical protein 0.0406 0.0736 1
Echinococcus granulosus Fatty acid desaturase type 1 0.0406 0.0736 0.3769
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0406 0.0736 0.3769
Loa Loa (eye worm) acyl-CoA desaturase 0.4975 0.9243 1
Trypanosoma brucei delta-4 fatty acid desaturase 0.0406 0.0736 0.0736
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0015 0.0007 0.0037
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0043 0.0058 0.0298
Trypanosoma brucei fatty acid desaturase, putative 0.5382 1 1
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0406 0.0736 0.0736
Brugia malayi acyl-CoA desaturase 0.4975 0.9243 1
Trypanosoma cruzi fatty acid desaturase, putative 0.5382 1 1
Schistosoma mansoni ap endonuclease 0.0015 0.0007 0.0037
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0406 0.0736 0.0736
Leishmania major fatty-acid desaturase, putative 0.5382 1 1
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0406 0.0736 1
Brugia malayi Delta5 fatty acid desaturase 0.0406 0.0736 0.0796
Mycobacterium ulcerans electron transfer protein FdxB 0.0406 0.0736 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0015 0.0007 0.0037
Schistosoma mansoni ap endonuclease 0.0015 0.0007 0.0037
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0058 0.0298
Brugia malayi jmjC domain containing protein 0.0043 0.0058 0.0063
Leishmania major delta-12 fatty acid desaturase 0.0406 0.0736 0.0736
Trichomonas vaginalis ap endonuclease, putative 0.0015 0.0007 0.5
Leishmania major delta-4 fatty acid desaturase 0.0406 0.0736 0.0736
Brugia malayi Fatty acid desaturase family protein 0.0406 0.0736 0.0796
Onchocerca volvulus 0.5382 1 1
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0406 0.0736 0.0736
Brugia malayi exodeoxyribonuclease III family protein 0.0015 0.0007 0.0008
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0406 0.0736 0.0736
Toxoplasma gondii exonuclease III APE 0.0015 0.0007 0.0099
Treponema pallidum exodeoxyribonuclease (exoA) 0.0015 0.0007 0.5
Mycobacterium ulcerans hypothetical protein 0.0406 0.0736 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0058 0.0298
Loa Loa (eye worm) FAT-3 protein 0.0406 0.0736 0.0796
Echinococcus granulosus microtubule associated protein 2 0.1059 0.1951 1
Trichomonas vaginalis ap endonuclease, putative 0.0015 0.0007 0.5
Echinococcus multilocularis microtubule associated protein 2 0.1059 0.1951 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0406 0.0736 0.3769
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0406 0.0736 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0015 0.0007 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0015 0.0007 0.0007
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0406 0.0736 0.0736
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0406 0.0736 0.0736
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0043 0.0058 0.0298
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0058 0.0063
Brugia malayi jmjC domain containing protein 0.0043 0.0058 0.0063
Schistosoma mansoni microtubule-associated protein tau 0.1059 0.1951 1
Trypanosoma cruzi fatty acid desaturase, putative 0.4975 0.9243 0.9243
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0015 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0406 0.0736 0.0796
Loa Loa (eye worm) fatty acid desaturase 0.0406 0.0736 0.0796
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0015 0.0007 0.5
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0406 0.0736 1
Leishmania major fatty acid desaturase, putative 0.0406 0.0736 0.0736
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0406 0.0736 0.0736
Brugia malayi Fatty acid desaturase family protein 0.0406 0.0736 0.0796
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0015 0.0007 0.0007
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0058 0.0298
Onchocerca volvulus 0.5382 1 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0406 0.0736 0.0736
Leishmania major fatty acid desaturase, putative 0.0406 0.0736 0.0736
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0406 0.0736 0.0736
Loa Loa (eye worm) fatty acid desaturase 0.0406 0.0736 0.0796
Mycobacterium tuberculosis Probable conserved membrane protein 0.0406 0.0736 1
Trypanosoma cruzi fatty acid desaturase, putative 0.4975 0.9243 0.9243
Leishmania major delta-5 fatty acid desaturase 0.0406 0.0736 0.0736
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0058 0.0298
Schistosoma mansoni jumonji domain containing protein 0.0043 0.0058 0.0298

Activities

No activities found for this compound.

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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