Detailed information for compound 1490856

Basic information

Technical information
  • TDR Targets ID: 1490856
  • Name: 3-(2,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl) ethenyl]quinazolin-4-one
  • MW: 402.418 | Formula: C24H19FN2O3
  • H donors: 0 H acceptors: 1 LogP: 4.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)n1c(/C=C/c2cccc(c2)F)nc2c(c1=O)cccc2
  • InChi: 1S/C24H19FN2O3/c1-29-18-11-12-21(22(15-18)30-2)27-23(13-10-16-6-5-7-17(25)14-16)26-20-9-4-3-8-19(20)24(27)28/h3-15H,1-2H3/b13-10+
  • InChiKey: FWGFNUFVMXPAEB-JLHYYAGUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
  • 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)vinyl]quinazolin-4-one
  • 3-(2,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)vinyl]quinazolin-4-one
  • 3-(2,4-dimethoxyphenyl)-2-[(E)-2-(3-fluorophenyl)vinyl]-4-quinazolinone
  • 3-(2,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)vinyl]-4-quinazolinone
  • EU-0095524

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0002 0.0009
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0022 0.0032
Onchocerca volvulus 0.156 1 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0022 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.1111
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0022 0.0071
Plasmodium falciparum cytochrome b 0.0439 0.2782 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0022 0.0032
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0022 0.0071
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0022 0.0118
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0002 0.0009
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0022 0.008
Brugia malayi N-terminal motif family protein 0.0218 0.1357 0.8074
Echinococcus granulosus cytochrome B 0.0439 0.2782 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.1357 0.1355
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0022 0.002
Brugia malayi hypothetical protein 0.0011 0.0022 0.0118
Toxoplasma gondii apocytochrome b, putative 0.0439 0.2782 1
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.156 1 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6261 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0118
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0022 0.0118
Schistosoma mansoni dep domain containing protein 0.0011 0.0022 0.008
Loa Loa (eye worm) hypothetical protein 0.0218 0.1357 0.8074
Brugia malayi DIX domain containing protein 0.0011 0.0022 0.0118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0309 0.049
Schistosoma mansoni cytochrome b 0.0439 0.2782 1
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0022 0.0118
Toxoplasma gondii cytochrome b 0.0439 0.2782 1
Onchocerca volvulus 0.0011 0.0022 0.002
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0002 0.5
Toxoplasma gondii apocytochrome b, putative 0.0171 0.1054 0.3739
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0309 0.1103
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0022 0.008
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0008 0.0002 0.5
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0022 0.008
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0008 0.0002 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0118
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.156 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0118
Entamoeba histolytica hypothetical protein 0.0008 0.0002 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0022 0.0118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0309 0.049
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.1111
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0309 0.1826
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0022 0.0071
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0002 0.0009
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0022 0.0071
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0309 0.1826
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0439 0.2782 0.5
Schistosoma mansoni dishevelled 0.0011 0.0022 0.008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0309 0.1103
Brugia malayi cytochrome b 0.0268 0.1681 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0002 0.0009
Trypanosoma cruzi hypothetical protein 0.0008 0.0002 0.5
Trypanosoma cruzi hypothetical protein 0.0008 0.0002 0.5
Schistosoma mansoni dishevelled 0.0011 0.0022 0.008
Plasmodium vivax cytochrome b 0.0439 0.2782 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0002 0.5
Loa Loa (eye worm) cytochrome b 0.0268 0.1681 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0022 0.0032
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0002 0.0009
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0022 0.0118
Schistosoma mansoni cytochrome b 0.0268 0.1681 0.6042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.1111
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0022 0.0071
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0002 0.5
Brugia malayi hypothetical protein 0.0011 0.0022 0.0118
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0022 0.0032

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2629 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 11.6891 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) 17.7828 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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