Detailed information for compound 43054

Basic information

Technical information
  • TDR Targets ID: 43054
  • Name: 4-methyl-6-(4-methylpiperazin-1-yl)-3H-quinaz olin-2-one
  • MW: 258.319 | Formula: C14H18N4O
  • H donors: 1 H acceptors: 3 LogP: 1.85 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ccc2c(c1)c(C)nc(n2)O
  • InChi: 1S/C14H18N4O/c1-10-12-9-11(18-7-5-17(2)6-8-18)3-4-13(12)16-14(19)15-10/h3-4,9H,5-8H2,1-2H3,(H,15,16,19)
  • InChiKey: XHPUNJFGUJAKNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methyl-6-(4-methyl-1-piperazinyl)-3H-quinazolin-2-one
  • 4-methyl-6-(4-methylpiperazino)-3H-quinazolin-2-one

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0772 0.0772
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0073 0.1632 0.1632
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0188 0.5848 0.5848
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1161 0.1161
Toxoplasma gondii prolyl endopeptidase 0.0147 0.4336 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0772 0.132
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.002 0.0046
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1161 0.1161
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0073 0.1632 0.3764
Schistosoma mansoni importin beta-1 0.0028 0.002 0.002
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.002 0.0046
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1161 0.1161
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0067 0.1418 0.0811
Entamoeba histolytica prolyl oligopeptidase family protein 0.0028 0 0.5
Trypanosoma brucei prolyl endopeptidase 0.0147 0.4336 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.4336 0.4336
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0073 0.1632 0.3764
Mycobacterium ulcerans epoxide hydrolase EphA 0.016 0.4831 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0067 0.1418 0.3271
Brugia malayi hypothetical protein 0.0045 0.0621 0.1061
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.002 0.0046
Trypanosoma brucei prolyl oligopeptidase, putative 0.0067 0.1418 0.3271
Trypanosoma cruzi oligopeptidase b 0.0067 0.1418 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.0188 0.5848 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0067 0.1418 0.3271
Plasmodium falciparum importin beta, putative 0.0028 0.002 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 1 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0073 0.1632 0.3764
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0067 0.1418 0.0702
Echinococcus granulosus Dipeptidyl peptidase 9 0.0073 0.1632 0.1632
Loa Loa (eye worm) hypothetical protein 0.0028 0.002 0.002
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0032 0.016 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0625 0.1068
Entamoeba histolytica prolyl oligopeptidase family protein 0.0028 0 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0188 0.5848 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0625 0.0625
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0188 0.5848 0.5848
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0772 0.132
Schistosoma mansoni hypothetical protein 0.0302 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0073 0.1632 0.2791
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0147 0.4336 0.4336
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1161 0.1161
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0147 0.4336 0.4336
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0188 0.5848 0.5848
Brugia malayi prolyl oligopeptidase family protein 0.0147 0.4336 0.7413
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0073 0.1632 0.1632
Brugia malayi Importin beta-1 subunit 0.0028 0.002 0.0034
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0073 0.1632 0.1485
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0208 0.0355
Loa Loa (eye worm) hypothetical protein 0.0045 0.0621 0.0621
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0067 0.1418 0.0702
Echinococcus multilocularis importin subunit beta 1 0.0028 0.002 0.002
Trypanosoma cruzi prolyl endopeptidase 0.0147 0.4336 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0028 0 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0028 0 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0073 0.1632 0.3764
Echinococcus granulosus importin subunit beta 1 0.0028 0.002 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0625 0.0625
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0067 0.1418 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0028 0 0.5
Mycobacterium tuberculosis Probable peptidase 0.0067 0.1418 0.0702
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0147 0.4336 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1161 0.2677
Brugia malayi RNA, U transporter 1 0.0081 0.1922 0.3286
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.016 0.4831 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0208 0.0208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0625 0.0625
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0073 0.1632 0.3764
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0119 0.3324 0.5895
Trypanosoma cruzi oligopeptidase b 0.0067 0.1418 0.3271
Plasmodium vivax importin-beta 2, putative 0.0028 0.002 1
Echinococcus multilocularis prolyl endopeptidase 0.0147 0.4336 0.4336
Trypanosoma brucei oligopeptidase b 0.0067 0.1418 0.3271
Giardia lamblia Alanyl dipeptidyl peptidase 0.0028 0 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0049 0.0772 0.0772
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0067 0.1418 0.3271
Echinococcus multilocularis snurportin 1 0.0302 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0625 0.0625
Giardia lamblia Alanyl dipeptidyl peptidase 0.0028 0 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0188 0.5848 0.5848
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0625 0.0625
Leishmania major oligopeptidase b 0.0067 0.1418 0.0811
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0625 0.0625
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0625 0.0625
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0625 0.0625
Echinococcus granulosus prolyl endopeptidase 0.0147 0.4336 0.4336

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 0 % Effect on arterial blood pressure (MAP) in anesthetized open-chest dogs at 1.875 mg/kg intravenous dose ChEMBL. 3039135
Change (functional) = 6 % Effect on heart rate (HR) in anesthetized open-chest dogs at 1.875 mg/kg intravenous dose ChEMBL. 3039135
Change (functional) = 10 % Effect on myocardial contractile force (CF) in anesthetized open-chest dogs at 1.875 mg/kg intravenous dose ChEMBL. 3039135
ED50 (functional) > 1.87 mg kg-1 50% increase in myocardial contractile force (CF) above control in anesthetized open-chest dogs at 1.875 mg/kg intravenous dose ChEMBL. 3039135
IC50 (binding) = 300 uM Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 1.875 mg/kg intravenous dose ChEMBL. 3039135
IC50 (binding) = 300 uM Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 1.875 mg/kg intravenous dose ChEMBL. 3039135

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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