Detailed information for compound 421379

Basic information

Technical information
  • TDR Targets ID: 421379
  • Name: 3-(3-fluorophenyl)-2,4-dioxo-N-(2-pyrrolidin- 1-ylethyl)-1H-quinazoline-7-carboxamide
  • MW: 396.415 | Formula: C21H21FN4O3
  • H donors: 2 H acceptors: 3 LogP: 2.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)n1c(=O)[nH]c2c(c1=O)ccc(c2)C(=O)NCCN1CCCC1
  • InChi: 1S/C21H21FN4O3/c22-15-4-3-5-16(13-15)26-20(28)17-7-6-14(12-18(17)24-21(26)29)19(27)23-8-11-25-9-1-2-10-25/h3-7,12-13H,1-2,8-11H2,(H,23,27)(H,24,29)
  • InChiKey: ACZOECKXQCUBLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-fluorophenyl)-2,4-dioxo-N-[2-(1-pyrrolidinyl)ethyl]-1H-quinazoline-7-carboxamide
  • 3-(3-fluorophenyl)-2,4-diketo-N-(2-pyrrolidinoethyl)-1H-quinazoline-7-carboxamide

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
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0055 0.0231 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0055 0.0231 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0246 0.4798 0.4676
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0055 0.0231 0.5
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0463 1 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0055 0.0231 0.5
Loa Loa (eye worm) hypothetical protein 0.0246 0.4798 0.4676
Giardia lamblia Prenyltransferase 0.0055 0.0231 0.5
Loa Loa (eye worm) hypothetical protein 0.0463 1 1
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.0359 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0055 0.0231 0.5
Trypanosoma brucei lanosterol synthase 0.0061 0.0359 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0125 0.1896 0.1705
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0055 0.0231 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0121 0.1808 0.1615
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0055 0.0231 0.5
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0463 1 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0463 1 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0055 0.0231 0.5
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0061 0.0359 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.0359 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0055 0.0231 0.5
Leishmania major farnesyltransferase beta subunit 0.0055 0.0231 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0055 0.0231 0.5
Schistosoma mansoni dopamine-beta-monooxygenase 0.0246 0.4798 0.4676
Schistosoma mansoni peptidylglycine monooxygenase 0.0246 0.4798 0.4676

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 4.3 % Inhibition of T-type calcium channel Cav3.1 with alpha1G subunit expressed in HEK293 cells at 100 uM by FDSS6000 assay ChEMBL. 17035033
Inhibition (binding) = 4.3 % Inhibition of T-type calcium channel Cav3.1 with alpha1G subunit expressed in HEK293 cells at 100 uM by FDSS6000 assay ChEMBL. 17035033

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

1 literature reference was collected for this gene.

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