Detailed information for compound 1335313

Basic information

Technical information
  • TDR Targets ID: 1335313
  • Name: 6-(2-methylphenyl)-4-morpholin-4-ylquinazolin e
  • MW: 305.374 | Formula: C19H19N3O
  • H donors: 0 H acceptors: 2 LogP: 3.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1c1ccc2c(c1)c(ncn2)N1CCOCC1
  • InChi: 1S/C19H19N3O/c1-14-4-2-3-5-16(14)15-6-7-18-17(12-15)19(21-13-20-18)22-8-10-23-11-9-22/h2-7,12-13H,8-11H2,1H3
  • InChiKey: WNHINCBEZIFTDR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(2-methylphenyl)-4-morpholino-quinazoline
  • 6-(2-methylphenyl)-4-morpholinoquinazoline
  • 6-(2-methylphenyl)-4-morpholin-4-yl-quinazoline
  • NCGC00012215
  • PCOP-760308

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens CDC-like kinase 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypoxia-induced factor 1 0.0182 0.3485 0.9119
Echinococcus granulosus single minded 2 0.0043 0.0434 0.0434
Loa Loa (eye worm) kinesin-like protein KLP2 0.0062 0.0842 0.2204
Onchocerca volvulus 0.0043 0.0434 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0073 0.1085 0.5
Schistosoma mansoni kinesin eg-5 0.0062 0.0842 0.0976
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0073 0.1085 1
Brugia malayi Cytochrome P450 family protein 0.0027 0.0077 0.0202
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0073 0.1085 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1073 0.2808
Echinococcus multilocularis kinesin family 1 0.0477 1 1
Entamoeba histolytica kinesin, putative 0.0062 0.0842 0.5
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0434 0.0434
Leishmania major protein kinase, putative 0.0073 0.1085 0.5
Leishmania major protein kinase, putative 0.0073 0.1085 0.5
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0434 0.1135
Plasmodium falciparum protein serine/threonine kinase-1 0.0073 0.1085 1
Brugia malayi hypothetical protein 0.0197 0.3822 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0771 0.0893
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0073 0.1085 0.5
Brugia malayi Kinesin motor domain containing protein 0.0062 0.0842 0.2204
Loa Loa (eye worm) hypothetical protein 0.0197 0.3822 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.3485 0.9119
Schistosoma mansoni lipoxygenase 0.0142 0.2616 0.3031
Schistosoma mansoni hypothetical protein 0.0415 0.8633 1
Trichomonas vaginalis CMGC family protein kinase 0.0073 0.1085 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.2616 0.2616
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.1085 0.1257
Schistosoma mansoni single-minded 0.0059 0.0771 0.0893
Giardia lamblia Kinase, CMGC CLK 0.0073 0.1085 1
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.1085 0.1257
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0073 0.1085 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.2616 0.2616
Brugia malayi Protein kinase domain containing protein 0.0073 0.1085 0.284
Echinococcus granulosus hypothetical protein 0.0072 0.1073 0.1073
Echinococcus granulosus dual specificity protein kinase clk2 0.0073 0.1085 0.1085
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0073 0.1085 0.5
Plasmodium vivax serine/threonine kinase-1, putative 0.0073 0.1085 1
Plasmodium vivax kinesin-5 0.0062 0.0842 0.7759
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0077 0.0202
Plasmodium falciparum kinesin-5 0.0062 0.0842 0.7759
Brugia malayi PAS domain containing protein 0.0059 0.0771 0.2016
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0073 0.1085 0.5
Echinococcus multilocularis 0.0072 0.1073 0.1073
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0073 0.1085 0.284
Schistosoma mansoni lipoxygenase 0.01 0.1671 0.1936
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0434 0.5
Echinococcus multilocularis dual specificity protein kinase clk2 0.0073 0.1085 0.1085

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (ADMET) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-FP Assay). (Class of assay: confirmatory) [Related pubchem assays: 1771, 1770 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (Kinase-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

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

No literature references available for this target.

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