Detailed information for compound 1505477

Basic information

Technical information
  • TDR Targets ID: 1505477
  • Name: 2-[(2,4-dimethylphenyl)amino]-7-furan-2-yl-7, 8-dihydro-6H-quinazolin-5-one
  • MW: 333.384 | Formula: C20H19N3O2
  • H donors: 1 H acceptors: 3 LogP: 3.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)Nc1ncc2c(n1)CC(CC2=O)c1ccco1
  • InChi: 1S/C20H19N3O2/c1-12-5-6-16(13(2)8-12)22-20-21-11-15-17(23-20)9-14(10-18(15)24)19-4-3-7-25-19/h3-8,11,14H,9-10H2,1-2H3,(H,21,22,23)
  • InChiKey: PACPHBIBQHVQKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2,4-dimethylphenyl)amino]-7-(2-furyl)-7,8-dihydro-6H-quinazolin-5-one
  • SMR000046745
  • MLS000041773
  • STK210840
  • 2-(2,4-Dimethyl-phenylamino)-7-furan-2-yl-7,8-dihydro-6H-quinazolin-5-one
  • BAS 11216248

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Brugia malayi Doublecortin family protein 0.0024 0.1293 0.1444
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.1293 0.1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.1293 0.1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.8957 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.8686 0.9698
Loa Loa (eye worm) doublecortin family protein 0.0024 0.1293 0.1444
Loa Loa (eye worm) hypothetical protein 0.0041 0.4816 0.5377
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.1293 0.1
Echinococcus multilocularis RUN 0.0024 0.1293 0.1
Schistosoma mansoni lamin 0.0033 0.3072 0.2839
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.8957 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.3072 0.343
Trypanosoma brucei protein kinase, putative 0.0062 0.8957 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3072 0.343
Schistosoma mansoni lipoxygenase 0.0024 0.1293 0.1
Loa Loa (eye worm) hypothetical protein 0.0024 0.1293 0.1444
Echinococcus granulosus lamin 0.0033 0.3072 0.2839
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8686 0.9698
Brugia malayi intermediate filament protein 0.0033 0.3072 0.343
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.8957 0.5
Schistosoma mansoni rab6-interacting 0.0024 0.1293 0.1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.8957 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.8957 0.8922
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0326 0.0363
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0326 0.0363
Loa Loa (eye worm) hypothetical protein 0.0032 0.2951 0.3295
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.8957 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.8957 0.8922
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.1293 0.1
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.1293 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.1293 0.1
Schistosoma mansoni rab6-interacting 0.0024 0.1293 0.1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.1293 0.1
Onchocerca volvulus 0.0033 0.3072 1
Onchocerca volvulus 0.0033 0.3072 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0326 0.0363
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.8957 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.8957 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.3072 0.343
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8686 0.9698
Echinococcus granulosus intermediate filament protein 0.0033 0.3072 0.2839
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.8957 0.8922
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.3072 0.343
Brugia malayi hypothetical protein 0.0024 0.1293 0.1444
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.1293 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.8957 0.5
Echinococcus granulosus RUN 0.0024 0.1293 0.1
Schistosoma mansoni hypothetical protein 0.0041 0.4816 0.4642
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.8957 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8686 0.9698
Loa Loa (eye worm) hypothetical protein 0.0024 0.1293 0.1444
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.8957 0.8922
Schistosoma mansoni intermediate filament proteins 0.0033 0.3072 0.2839
Echinococcus granulosus lamin dm0 0.0033 0.3072 0.2839
Schistosoma mansoni hypothetical protein 0.0024 0.1293 0.1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0326 0.0363
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.8957 0.8922
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4816 0.5377
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.8957 0.5
Brugia malayi hypothetical protein 0.0024 0.1293 0.1444
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.8957 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.8957 0.5
Brugia malayi MAP kinase sur-1 0.0062 0.8957 1
Schistosoma mansoni loxhd1 0.0024 0.1293 0.1
Echinococcus multilocularis lamin 0.0033 0.3072 0.2839
Echinococcus multilocularis lamin dm0 0.0033 0.3072 0.2839
Schistosoma mansoni polycystin 1-related 0.0024 0.1293 0.1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.8957 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.8957 0.5
Echinococcus multilocularis musashi 0.0033 0.3072 0.2839
Schistosoma mansoni lamin 0.0033 0.3072 0.2839

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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