Detailed information for compound 1423629

Basic information

Technical information
  • TDR Targets ID: 1423629
  • Name: 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]q uinazolin-4-amine
  • MW: 299.324 | Formula: C16H17N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(ncnc2cc1OC)NCc1ccc(o1)C
  • InChi: 1S/C16H17N3O3/c1-10-4-5-11(22-10)8-17-16-12-6-14(20-2)15(21-3)7-13(12)18-9-19-16/h4-7,9H,8H2,1-3H3,(H,17,18,19)
  • InChiKey: XSRFKJNZJMYEFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6,7-dimethoxy-N-[(5-methyl-2-furyl)methyl]quinazolin-4-amine
  • 6,7-dimethoxy-N-[(5-methyl-2-furyl)methyl]-4-quinazolinamine
  • (6,7-dimethoxyquinazolin-4-yl)-[(5-methyl-2-furyl)methyl]amine
  • 12N-069
  • ZINC01405379
  • Oprea1_246055
  • MLS000721152
  • SMR000335338

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.4742 0.3052
Loa Loa (eye worm) hypothetical protein 0.006 0.8194 0.7614
Echinococcus granulosus tar DNA binding protein 0.0066 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.4742 0.3052
Echinococcus multilocularis tar DNA binding protein 0.0066 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.4742 0.3052
Brugia malayi hypothetical protein 0.0051 0.5499 0.5499
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8194 0.7614
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.5499 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.4742 0.3052
Loa Loa (eye worm) RNA binding protein 0.0066 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.5499 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.5499 0.5
Leishmania major hypothetical protein, conserved 0.0051 0.5499 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.5499 0.5
Loa Loa (eye worm) TAR-binding protein 0.0066 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.5499 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8194 0.8194
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.5499 0.4053
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.4742 0.4742
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.5499 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.5499 0.5
Brugia malayi TAR-binding protein 0.0066 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2432 0.2432
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8194 0.8194
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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