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