Detailed information for compound 1451364

Basic information

Technical information
  • TDR Targets ID: 1451364
  • Name: 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazoli n-1-yl]-N-(2-ethoxyphenyl)acetamide
  • MW: 451.877 | Formula: C24H19ClFN3O3
  • H donors: 1 H acceptors: 2 LogP: 4.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)Cn1c(=O)nc(c2c1ccc(c2)Cl)c1ccccc1F
  • InChi: 1S/C24H19ClFN3O3/c1-2-32-21-10-6-5-9-19(21)27-22(30)14-29-20-12-11-15(25)13-17(20)23(28-24(29)31)16-7-3-4-8-18(16)26/h3-13H,2,14H2,1H3,(H,27,30)
  • InChiKey: LXVBWLDWIULTOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-chloro-4-(2-fluorophenyl)-2-oxo-quinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
  • 2-[6-chloro-4-(2-fluorophenyl)-2-oxo-1-quinazolinyl]-N-(2-ethoxyphenyl)acetamide
  • 2-[6-chloro-4-(2-fluorophenyl)-2-keto-quinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
  • 2-[6-chloro-4-(2-fluorophenyl)-2-oxo-quinazolin-1-yl]-N-(2-ethoxyphenyl)ethanamide
  • G515-0260
  • NCGC00131773-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0032 0.0013 0.0025
Loa Loa (eye worm) transcription factor SMAD2 0.0362 0.4132 0.8008
Echinococcus multilocularis lamin dm0 0.0033 0.002 0.002
Schistosoma mansoni tar DNA-binding protein 0.0445 0.5159 0.5159
Brugia malayi intermediate filament protein 0.0033 0.002 0.0039
Echinococcus multilocularis musashi 0.0033 0.002 0.002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0036
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0019
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.0557 1
Brugia malayi RNA recognition motif domain containing protein 0.0445 0.5159 1
Echinococcus granulosus GPCR family 2 0.0032 0.0019 0.0019
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0488 0.0946
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.0557 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0892 0.173
Schistosoma mansoni hypothetical protein 0.007 0.0488 0.0488
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0445 0.5159 0.5159
Loa Loa (eye worm) TAR-binding protein 0.0445 0.5159 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0362 0.4132 0.8008
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0019 0.0036
Loa Loa (eye worm) RNA binding protein 0.0445 0.5159 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0557 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0019 0.0019
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0557 1
Echinococcus granulosus lamin 0.0033 0.002 0.002
Echinococcus multilocularis lamin 0.0033 0.002 0.002
Echinococcus granulosus intermediate filament protein 0.0033 0.002 0.002
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0019 0.0019
Schistosoma mansoni lamin 0.0033 0.002 0.002
Echinococcus multilocularis tar DNA binding protein 0.0445 0.5159 0.5159
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0892 0.173
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0019
Leishmania major hypothetical protein, conserved 0.0076 0.0557 1
Schistosoma mansoni hypothetical protein 0.0034 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0033 0.002 0.0039
Brugia malayi TAR-binding protein 0.0445 0.5159 1
Brugia malayi hypothetical protein 0.0148 0.1458 0.2826
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0019 0.0036
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.002 0.0039
Brugia malayi hypothetical protein 0.0049 0.0223 0.0432
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0019
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0445 0.5159 1
Schistosoma mansoni tar DNA-binding protein 0.0445 0.5159 0.5159
Loa Loa (eye worm) intermediate filament protein 0.0033 0.002 0.0039
Loa Loa (eye worm) hypothetical protein 0.007 0.0488 0.0946
Schistosoma mansoni intermediate filament proteins 0.0033 0.002 0.002
Brugia malayi RNA binding protein 0.0445 0.5159 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus tar DNA binding protein 0.0445 0.5159 0.5159
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0019 0.0019
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0557 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1458 0.2826
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0037 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0445 0.5159 0.5159
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0892 0.173
Schistosoma mansoni lamin 0.0033 0.002 0.002
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.0557 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0557 0.1079
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0019
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0019 0.0036
Brugia malayi MH2 domain containing protein 0.0362 0.4132 0.8008
Loa Loa (eye worm) hypothetical protein 0.0103 0.0892 0.173
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0557 1
Brugia malayi hypothetical protein 0.0076 0.0557 0.1079
Schistosoma mansoni tar DNA-binding protein 0.0445 0.5159 0.5159
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0037 0.0037
Echinococcus granulosus lamin dm0 0.0033 0.002 0.002
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.002 0.0039
Onchocerca volvulus 0.0148 0.1458 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0631 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 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 (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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
Homo sapiens 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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