Detailed information for compound 421497

Basic information

Technical information
  • TDR Targets ID: 421497
  • Name: 3-(3-methoxyphenyl)-2,4-dioxo-N-(2-pyrrolidin -1-ylethyl)-1H-quinazoline-7-carboxamide
  • MW: 408.45 | Formula: C22H24N4O4
  • H donors: 2 H acceptors: 3 LogP: 1.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)n1c(=O)[nH]c2c(c1=O)ccc(c2)C(=O)NCCN1CCCC1
  • InChi: 1S/C22H24N4O4/c1-30-17-6-4-5-16(14-17)26-21(28)18-8-7-15(13-19(18)24-22(26)29)20(27)23-9-12-25-10-2-3-11-25/h4-8,13-14H,2-3,9-12H2,1H3,(H,23,27)(H,24,29)
  • InChiKey: UIXBMOWYZBSWMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-methoxyphenyl)-2,4-dioxo-N-[2-(1-pyrrolidinyl)ethyl]-1H-quinazoline-7-carboxamide
  • 2,4-diketo-3-(3-methoxyphenyl)-N-(2-pyrrolidinoethyl)-1H-quinazoline-7-carboxamide

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
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0069 0.1554 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0069 0.1554 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0254 0.5986 0.5963
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0069 0.1554 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0007 0.0057 0.0057
Mycobacterium tuberculosis Possible hydrolase 0.0069 0.1554 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0069 0.1554 0.5
Entamoeba histolytica alkyl sulfatase, putative 0.0069 0.1554 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0074 0.0017
Mycobacterium leprae conserved hypothetical protein 0.0069 0.1554 0.5
Schistosoma mansoni cpg binding protein 0.003 0.0608 0.0608
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0069 0.1554 0.1505
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0069 0.1554 1
Mycobacterium ulcerans hypothetical protein 0.0069 0.1554 0.5
Onchocerca volvulus 0.0069 0.1554 1
Trichomonas vaginalis beta lactamase domain, putative 0.0069 0.1554 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0115 0.0097
Leishmania major hypothetical protein, conserved 0.0069 0.1554 0.5
Trypanosoma cruzi glyoxalase II 0.0069 0.1554 0.5
Schistosoma mansoni hypothetical protein 0.0007 0.0057 0.0057
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0069 0.1554 0.5
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0069 0.1554 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0069 0.1554 1
Mycobacterium ulcerans hypothetical protein 0.0069 0.1554 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1028 0.1028
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0608 0.0928
Leishmania major metallo-beta-lactamase family protein-like protein 0.0069 0.1554 0.5
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0118 0.0102
Trypanosoma cruzi glyoxalase II 0.0069 0.1554 0.5
Schistosoma mansoni brat protein 0.0007 0.0057 0.0057
Onchocerca volvulus Putative hydrolase PNKD 0.0069 0.1554 1
Mycobacterium ulcerans hypothetical protein 0.0069 0.1554 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.1554 1
Echinococcus granulosus cpg binding protein 0.0031 0.0648 0.0594
Mycobacterium tuberculosis Conserved hypothetical protein 0.0069 0.1554 1
Schistosoma mansoni zinc phosphodiesterase 0.0069 0.1554 0.1554
Mycobacterium leprae POSSIBLE HYDROLASE 0.0069 0.1554 0.5
Entamoeba histolytica metallo-beta-lactamase family protein 0.0069 0.1554 1
Schistosoma mansoni zinc phosphodiesterase 0.0069 0.1554 0.1554
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0069 0.1554 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0069 0.1554 0.1505
Mycobacterium tuberculosis Conserved protein 0.0069 0.1554 1
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.1554 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1028 0.0976
Mycobacterium tuberculosis Conserved protein 0.0069 0.1554 1
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0069 0.1554 0.5
Trichomonas vaginalis apoptosis inducing factor, putative 0.0069 0.1554 1
Mycobacterium tuberculosis Beta lactamase like protein 0.0069 0.1554 1
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0069 0.1554 0.2524
Trichomonas vaginalis beta lactamase domain, putative 0.0069 0.1554 1
Schistosoma mansoni hypothetical protein 0.0007 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0069 0.1554 0.1554
Echinococcus granulosus ETHE1 protein 0.0069 0.1554 0.1505
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0074 0.0017
Mycobacterium ulcerans hydrolase 0.0069 0.1554 0.5
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0069 0.1554 0.1554
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0069 0.1554 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1028 0.1637
Schistosoma mansoni peptidylglycine monooxygenase 0.0135 0.3132 0.3132
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0069 0.1554 0.5
Schistosoma mansoni hypothetical protein 0.0007 0.0057 0.0057
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0074 0.0017
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0069 0.1554 1
Schistosoma mansoni hypothetical protein 0.0069 0.1554 0.1554
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0061
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1028 0.0976
Onchocerca volvulus 0.0069 0.1554 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0069 0.1539 0.2499
Treponema pallidum ribonuclease Z 0.0069 0.1554 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0074 0.0017
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0069 0.1554 0.5
Trypanosoma brucei glyoxalase II 0.0069 0.1554 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0069 0.1554 0.2524
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1028 0.0976
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.1554 1
Trichomonas vaginalis beta lactamase domain, putative 0.0069 0.1554 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0069 0.1554 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0069 0.1554 1
Echinococcus granulosus zinc phosphodiesterase 0.0069 0.1554 0.1505
Mycobacterium tuberculosis Conserved protein 0.0069 0.1554 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1028 0.0976
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0069 0.1554 0.1505
Trichomonas vaginalis beta lactamase domain, putative 0.0069 0.1554 1
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0069 0.1554 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1028 0.1028
Trypanosoma cruzi glyoxalase II 0.0069 0.1554 0.5
Echinococcus multilocularis ETHE1 protein 0.0069 0.1554 0.1505
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Entamoeba histolytica alkyl sulfatase, putative 0.0069 0.1554 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0135 0.3132 0.5185
Trichomonas vaginalis A-type flavoprotein 0.0069 0.1554 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0069 0.1554 1
Echinococcus multilocularis zinc phosphodiesterase 0.0069 0.1554 0.1505
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0254 0.5986 0.5963
Brugia malayi hypothetical protein 0.0069 0.1554 0.2524
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0069 0.1554 0.2524
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0069 0.1554 1
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.1554 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0069 0.1554 0.2524
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0069 0.1554 1
Entamoeba histolytica hypothetical protein, conserved 0.0069 0.1554 1
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0069 0.1554 1
Mycobacterium leprae conserved hypothetical protein 0.0069 0.1554 0.5
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0254 0.5986 0.5986
Mycobacterium ulcerans beta lactamase-like protein 0.0069 0.1554 0.5
Echinococcus multilocularis dnaJ subfamily B 0.0422 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.3132 0.5185
Loa Loa (eye worm) hypothetical protein 0.0254 0.5986 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1554 0.2524
Schistosoma mansoni hypothetical protein 0.0007 0.0057 0.0057
Mycobacterium leprae Beta-lactamase-like protein 0.0069 0.1554 0.5
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0069 0.1554 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0648 0.0594
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0069 0.1554 0.5
Schistosoma mansoni dopamine-beta-monooxygenase 0.0135 0.3132 0.3132
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.1554 1
Mycobacterium ulcerans glyoxalase II, GloB 0.0069 0.1554 0.5
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0069 0.1554 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0067 0.1491 0.2418
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1028 0.1637
Leishmania major metallo-beta-lactamase family-like protein 0.0069 0.1554 0.5
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0069 0.1554 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0069 0.1554 1
Schistosoma mansoni hypothetical protein 0.0069 0.1554 0.1554
Entamoeba histolytica type A flavoprotein, putative 0.0069 0.1554 1
Plasmodium vivax unspecified product 0.0069 0.1554 0.5
Brugia malayi ethe1-prov protein 0.0069 0.1554 0.2524
Mycobacterium ulcerans Zn-dependent glyoxylase 0.0069 0.1554 0.5
Mycobacterium tuberculosis Possible hydrolase 0.0069 0.1554 1
Plasmodium falciparum cytosolic glyoxalase II 0.0069 0.1554 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1554 0.2524
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0069 0.1554 0.2524
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0069 0.1554 0.1505
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0069 0.1554 1
Trichomonas vaginalis beta lactamase domain, putative 0.0069 0.1554 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0069 0.1554 0.1505
Mycobacterium ulcerans hydrolase 0.0069 0.1554 0.5
Schistosoma mansoni hypothetical protein 0.0422 1 1
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0069 0.1554 0.2524
Trichomonas vaginalis beta lactamase domain, putative 0.0069 0.1554 1
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.1554 1
Mycobacterium ulcerans hypothetical protein 0.0069 0.1554 0.5
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0069 0.1554 0.1505
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1028 0.1028
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0254 0.5986 1
Brugia malayi CXXC zinc finger family protein 0.003 0.0608 0.0928
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1403 0.1403
Loa Loa (eye worm) hypothetical protein 0.0069 0.1554 0.2524
Chlamydia trachomatis ribonuclease Z 0.0069 0.1554 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1554 0.2524
Mycobacterium ulcerans hydrolase 0.0069 0.1554 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 13.1 % Inhibition of T-type calcium channel Cav3.1 with alpha1G subunit expressed in HEK293 cells at 100 uM by FDSS6000 assay ChEMBL. 17035033
Inhibition (binding) = 13.1 % Inhibition of T-type calcium channel Cav3.1 with alpha1G subunit expressed in HEK293 cells at 100 uM by FDSS6000 assay ChEMBL. 17035033

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

1 literature reference was collected for this gene.

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