Detailed information for compound 1386803

Basic information

Technical information
  • TDR Targets ID: 1386803
  • Name: 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazoli n-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamid e
  • MW: 475.823 | Formula: C23H14ClF4N3O2
  • H donors: 1 H acceptors: 2 LogP: 5.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c(nc(=O)n2CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1F
  • InChi: 1S/C23H14ClF4N3O2/c24-13-9-10-19-15(11-13)21(14-5-1-3-7-17(14)25)30-22(33)31(19)12-20(32)29-18-8-4-2-6-16(18)23(26,27)28/h1-11H,12H2,(H,29,32)
  • InChiKey: VVSFWNXHHAASDK-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-(trifluoromethyl)phenyl]acetamide
  • 2-[6-chloro-4-(2-fluorophenyl)-2-oxo-1-quinazolinyl]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[6-chloro-4-(2-fluorophenyl)-2-keto-quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[6-chloro-4-(2-fluorophenyl)-2-oxo-quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide
  • NCGC00131749-01
  • G515-0228

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma cruzi casein kinase II, putative 0.0392 0.9976 1
Trichomonas vaginalis CMGC family protein kinase 0.0392 0.9976 1
Schistosoma mansoni protein kinase 0.0392 0.9976 0.9976
Giardia lamblia Kinase, CMGC GSK 0.0114 0.1785 0.1789
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0114 0.1785 0.1785
Echinococcus granulosus protein kinase shaggy 0.0114 0.1785 0.1785
Trichomonas vaginalis CMGC family protein kinase 0.0392 0.9976 1
Entamoeba histolytica protein kinase domain containing protein 0.0114 0.1785 0.1785
Entamoeba histolytica casein kinase, putative 0.0392 0.9976 0.9976
Giardia lamblia Kinase, CMGC GSK 0.0114 0.1785 0.1789
Giardia lamblia Kinase, CMGC CK2 0.0392 0.9976 1
Entamoeba histolytica protein kinase domain containing protein 0.0392 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0392 0.9976 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0392 0.9976 1
Trichomonas vaginalis CMGC family protein kinase 0.0392 0.9976 1
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0392 0.9976 1
Echinococcus granulosus casein kinase ii subunit alpha 0.0392 0.9976 0.9976
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0114 0.1785 0.1789
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0392 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0392 0.9976 1
Leishmania major casein kinase II, putative 0.0392 0.9976 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0114 0.1785 0.1785
Plasmodium falciparum casein kinase 2, alpha subunit 0.0392 0.9976 1
Onchocerca volvulus 0.0114 0.1785 0.5
Echinococcus multilocularis protein kinase shaggy 0.0114 0.1785 0.1785
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0392 1 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0114 0.1785 0.1785
Entamoeba histolytica protein kinase domain containing protein 0.0392 0.9976 0.9976
Trichomonas vaginalis CMGC family protein kinase 0.0114 0.1785 0.1789
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0114 0.1785 0.1789
Plasmodium vivax glycogen synthase kinase 3, putative 0.0114 0.1785 0.1789
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0114 0.1785 0.1785
Trichomonas vaginalis CMGC family protein kinase 0.0392 0.9976 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0114 0.1785 0.1785
Trypanosoma brucei protein kinase, putative 0.0114 0.1785 0.1789
Brugia malayi intracellular kinase 0.0114 0.1785 0.1785
Plasmodium falciparum glycogen synthase kinase 3 0.0114 0.1785 0.1789
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0392 0.9976 0.9976
Schistosoma mansoni serine/threonine protein kinase 0.0392 1 1
Trypanosoma brucei Casein kinase II 0.0392 0.9976 1
Echinococcus multilocularis casein kinase ii subunit alpha 0.0392 0.9976 0.9976
Trichomonas vaginalis CMGC family protein kinase 0.0114 0.1785 0.1789
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0392 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0114 0.1785 0.1789
Entamoeba histolytica protein kinase, putative 0.0114 0.1785 0.1785
Plasmodium vivax unspecified product 0.0392 0.9976 1
Trichomonas vaginalis CMGC family protein kinase 0.0392 0.9976 1
Entamoeba histolytica protein kinase domain containing protein 0.0114 0.1785 0.1785
Brugia malayi Casein kinase II, alpha chain 0.0392 0.9976 0.9976

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 28.1838 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: 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) = 50.1187 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

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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