Detailed information for compound 1344620

Basic information

Technical information
  • TDR Targets ID: 1344620
  • Name: 2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H -quinazolin-4-one
  • MW: 298.336 | Formula: C17H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1O)C1N(C)C(=O)c2c(N1C)cccc2
  • InChi: 1S/C17H18N2O3/c1-18-13-7-5-4-6-12(13)17(21)19(2)16(18)11-8-9-14(20)15(10-11)22-3/h4-10,16,20H,1-3H3
  • InChiKey: DGCZRGXXRVTDTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-hydroxy-3-methoxy-phenyl)-1,3-dimethyl-2H-quinazolin-4-one
  • 2-(4-Hydroxy-3-methoxy-phenyl)-1,3-dimethyl-2,3-dihydro-1H-quinazolin-4-one
  • BAS 00883536

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
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
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2044 0.1955
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0056 0.0712 0.0607
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0338 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2044 0.2113
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2044 0.1955
Loa Loa (eye worm) hypothetical protein 0.0052 0.0633 0.0655
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0056 0.0712 0.0607
Onchocerca volvulus 0.0056 0.0712 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2044 0.1955
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2044 0.2113
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2044 0.1955
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0056 0.0712 0.0607
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0338 0.1175
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0111 0.0115
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0349 0.593 0.6129
Onchocerca volvulus 0.0056 0.0712 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0111 0.0115
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.056 0.9675 1
Schistosoma mansoni hypothetical protein 0.056 0.9675 1
Loa Loa (eye worm) phosphofructokinase 0.0131 0.2044 0.2113
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.0712 0.0607
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0056 0.0712 0.0736
Brugia malayi indoleamine 2,3-dioxygenase 0.056 0.9675 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0712 0.0736
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0338 0.023
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0338 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0338 0.023
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0578 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0338 0.023
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0338 0.023
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0056 0.0712 0.0736
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0056 0.0712 0.0607
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0349 0.593 0.6129
Brugia malayi phosphofructokinase 0.0131 0.2044 0.2113
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0349 0.593 0.6129
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0338 0.023
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2044 0.2113
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.0712 0.0607
Schistosoma mansoni ap endonuclease 0.0023 0.0111 0.0115
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0056 0.0712 0.0736
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.2044 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2044 0.1955
Schistosoma mansoni ap endonuclease 0.0023 0.0111 0.0115
Schistosoma mansoni hypothetical protein 0.056 0.9675 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0111 0.0115
Trichomonas vaginalis cdc25b, putative 0.0056 0.0712 0.0607
Brugia malayi Rhodanese-like domain containing protein 0.0056 0.0712 0.0736
Trichomonas vaginalis cdc25b, putative 0.0056 0.0712 0.0607
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.2044 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0338 0.023
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0349 0.593 0.6129
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0338 0.5
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0338 1
Brugia malayi 6-phosphofructokinase 0.0131 0.2044 0.2113
Onchocerca volvulus 0.0056 0.0712 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0349 0.593 0.6129
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2044 0.2113
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0111 0.0115
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.0712 0.0607
Onchocerca volvulus 0.0056 0.0712 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0338 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2044 0.1955
Trichomonas vaginalis cdc25c, putative 0.0056 0.0712 0.0607
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.2044 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0338 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0056 0.0712 0.0607
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0111 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2044 0.1955
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.056 0.9675 1
Brugia malayi 6-phosphofructokinase 0.0131 0.2044 0.2113
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0338 0.023
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.2044 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0633 0.0655
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0338 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.2044 0.5
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.056 0.9675 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0338 1
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.2044 0.2113
Brugia malayi Rhodanese-like domain containing protein 0.0056 0.0712 0.0736
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0338 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2044 1
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0338 0.023
Loa Loa (eye worm) hypothetical protein 0.0056 0.0712 0.0736
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.2044 0.2113
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0338 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2044 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.5686 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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

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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