Detailed information for compound 1554755

Basic information

Technical information
  • TDR Targets ID: 1554755
  • Name: N-cyclohexyl-2-(3-methyl-2,4-dioxoquinazolin- 1-yl)acetamide
  • MW: 315.367 | Formula: C17H21N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1c(=O)n(C)c(=O)c2c1cccc2)NC1CCCCC1
  • InChi: 1S/C17H21N3O3/c1-19-16(22)13-9-5-6-10-14(13)20(17(19)23)11-15(21)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)
  • InChiKey: YDZNLPDTUAQMEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclohexyl-2-(3-methyl-2,4-dioxo-quinazolin-1-yl)acetamide
  • N-cyclohexyl-2-(3-methyl-2,4-dioxo-1-quinazolinyl)acetamide
  • N-cyclohexyl-2-(2,4-diketo-3-methyl-quinazolin-1-yl)acetamide
  • N-cyclohexyl-2-(3-methyl-2,4-dioxo-quinazolin-1-yl)ethanamide
  • ZINC05000050
  • ASN 15432624
  • N-Cyclohexyl-2-(3-methyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl)-acetamide

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
Entamoeba histolytica hypothetical protein 0.0073 0.1084 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0143 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.1165 0.1341
Brugia malayi Pre-SET motif family protein 0.0202 0.3299 0.4013
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.1165 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1165 0.1036
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0702 0.0762
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0303 0.0262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.1478 0.1733
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0321 0.0285
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.1165 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0143 0.0177
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0321 0.0285
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0321 0.023
Brugia malayi Muscleblind-like protein 0.0479 0.808 1
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0591 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0321 0.0285
Toxoplasma gondii hypothetical protein 0.0027 0.0285 0.0193
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0143 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.1478 0.1733
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0702 0.0762
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.1165 0.1081
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.1478 0.1733
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0143 0.0177
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.1478 0.1733
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.1165 0.1341
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0321 0.1643
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1478 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0321 0.1643
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0143 1
Loa Loa (eye worm) hypothetical protein 0.0479 0.808 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1084 0.124
Brugia malayi Cytochrome P450 family protein 0.0019 0.0143 0.0061
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0702 0.0614
Loa Loa (eye worm) hypothetical protein 0.0029 0.0321 0.0398
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1478 1
Onchocerca volvulus 0.023 0.3779 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1165 0.5
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0591 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1165 0.5
Brugia malayi Cytochrome P450 family protein 0.0019 0.0143 0.0061
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1084 0.7155
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0702 0.0429
Entamoeba histolytica hypothetical protein 0.0073 0.1084 0.5
Echinococcus granulosus muscleblind protein 0.0479 0.808 1
Schistosoma mansoni hypothetical protein 0.0073 0.1084 0.7155
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.1478 0.183
Loa Loa (eye worm) hypothetical protein 0.0479 0.808 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.1165 1
Entamoeba histolytica hypothetical protein 0.0073 0.1084 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0321 0.1643
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0094 0.0116
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0285 0.1786
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0285 0.1786
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.1165 0.5
Trichomonas vaginalis set domain proteins, putative 0.023 0.3779 0.5
Brugia malayi Pre-SET motif family protein 0.0029 0.0321 0.0285
Brugia malayi Probable ClpP-like protease 0.0078 0.1165 0.1341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1478 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0702 0.0614
Plasmodium vivax SET domain protein, putative 0.0029 0.0321 0.2125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.1478 0.1733
Brugia malayi hypothetical protein 0.0073 0.1084 0.124
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.1165 0.7734
Echinococcus multilocularis muscleblind protein 0.0479 0.808 1
Leishmania major cytochrome p450-like protein 0.0019 0.0143 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1165 0.1441
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1165 0.1036
Echinococcus multilocularis muscleblind protein 1 0.0479 0.808 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0321 0.1643
Entamoeba histolytica hypothetical protein 0.0073 0.1084 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.3299 0.4083
Toxoplasma gondii pantoate-beta-alanine ligase 0.0591 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0143 0.0177
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.1165 0.0905
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1084 0.124
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.1165 0.1081

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.