Detailed information for compound 830668

Basic information

Technical information
  • TDR Targets ID: 830668
  • Name: N-(3-methylbutyl)-3-[4-(3-methylbutyl)-5-oxo- [1,2,4]triazolo[4,5-a]quinazolin-1-yl]propana mide
  • MW: 397.514 | Formula: C22H31N5O2
  • H donors: 1 H acceptors: 4 LogP: 3.43 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2CCC(C)C)C
  • InChi: 1S/C22H31N5O2/c1-15(2)11-13-23-20(28)10-9-19-24-25-22-26(14-12-16(3)4)21(29)17-7-5-6-8-18(17)27(19)22/h5-8,15-16H,9-14H2,1-4H3,(H,23,28)
  • InChiKey: QTIWWMJZNCGJII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-isopentyl-3-(4-isopentyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)propanamide
  • N-isoamyl-3-(4-isoamyl-5-keto-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)propionamide

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
Trichomonas vaginalis set domain proteins, putative 0.0254 0.9995 0.5
Brugia malayi hypothetical protein 0.0043 0.1161 0.0587
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0043 0.1161 0.3638
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Brugia malayi conserved hypotetical protein 0.0043 0.1161 0.0587
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Onchocerca volvulus 0.0043 0.1161 0.0505
Echinococcus multilocularis thyroid hormone receptor alpha 0.0092 0.319 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0043 0.1161 0.0505
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0043 0.1161 0.3638
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0092 0.319 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.069 0.2163
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0092 0.319 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Brugia malayi Nuclear hormone receptor E75 0.0043 0.1161 0.0587
Brugia malayi nuclear receptor RXR 0.0043 0.1161 0.0587
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0092 0.319 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0043 0.1161 0.3638
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.1161 0.3638
Echinococcus granulosus thyroid hormone receptor alpha 0.0043 0.1161 0.3638
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0092 0.319 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0092 0.319 0.312
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0092 0.319 0.312
Brugia malayi nuclear hormone receptor family member odr-7 0.0043 0.1161 0.0587
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Brugia malayi nuclear receptor NHR-67 0.0043 0.1161 0.0587
Brugia malayi nuclear receptor NHR-88 0.0043 0.1161 0.0587
Schistosoma mansoni coup transcription factor 0.0092 0.319 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0048 0.1378 0.2751
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0092 0.319 0.312
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0092 0.319 1
Brugia malayi tailless protein 0.0043 0.1161 0.0587
Onchocerca volvulus Protein ultraspiracle homolog 0.0092 0.319 0.2685
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0043 0.1161 0.3638
Brugia malayi nuclear hormone receptor 0.0043 0.1161 0.0587
Schistosoma mansoni zinc finger protein 0.0043 0.1161 0.1882
Brugia malayi Pre-SET motif family protein 0.0223 0.8702 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Schistosoma mansoni hypothetical protein 0.0039 0.0965 0.1101
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0092 0.319 0.312
Brugia malayi ecdysteroid receptor 0.0092 0.319 0.312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0092 0.319 0.3666
Loa Loa (eye worm) hypothetical protein 0.0048 0.1378 0.1583
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0048 0.1378 0.1583
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.319 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0092 0.319 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Echinococcus granulosus nuclear receptor nhr 48 0.0043 0.1161 0.3638
Schistosoma mansoni nuclear receptor 0.0043 0.1161 0.1882
Loa Loa (eye worm) nuclear receptor NHR-67 0.0043 0.1161 0.1334
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0043 0.1161 0.1882
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Onchocerca volvulus 0.0043 0.1161 0.0505
Plasmodium vivax SET domain protein, putative 0.0032 0.069 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0092 0.319 0.3666
Brugia malayi nuclear hormone receptor 0.0092 0.319 0.312
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0092 0.319 1
Schistosoma mansoni nuclear hormone receptor 0.0043 0.1161 0.1882
Schistosoma mansoni thyroid hormone receptor 0.0092 0.319 1
Brugia malayi Steroid receptor seven-up type 2 0.0092 0.319 0.312
Schistosoma mansoni thyroid hormone receptor 0.0092 0.319 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0048 0.1378 0.4319
Brugia malayi hypothetical protein 0.0039 0.0965 0.0344
Loa Loa (eye worm) hypothetical protein 0.0032 0.069 0.0793
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0092 0.319 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0043 0.1161 0.0505
Brugia malayi Nuclear hormone receptor E75 0.0043 0.1161 0.0587
Brugia malayi orphan nuclear receptor NR2E1 0.0043 0.1161 0.0587
Schistosoma mansoni steroid hormone receptor ad4bp 0.0092 0.319 1
Entamoeba histolytica hypothetical protein 0.0039 0.0965 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0092 0.319 0.2685
Echinococcus multilocularis FTZ F1 alpha 0.0092 0.319 1
Loa Loa (eye worm) nuclear hormone receptor 0.0043 0.1161 0.1334
Echinococcus multilocularis ecdysone induced protein 78C 0.0092 0.319 1
Brugia malayi nuclear receptor RXR 0.0048 0.1378 0.0859
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0092 0.319 0.3666
Echinococcus granulosus ecdysone induced protein 78C 0.0092 0.319 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0092 0.319 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.069 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0092 0.319 0.3666
Echinococcus granulosus FTZ F1 alpha 0.0092 0.319 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0079 0.2658 0.8332
Brugia malayi nuclear hormone receptor family member nhr-6 0.0043 0.1161 0.0587
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.069 0.2163
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.1378 0.0859
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Entamoeba histolytica hypothetical protein 0.0039 0.0965 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0092 0.319 0.2685
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0092 0.319 0.312
Loa Loa (eye worm) hypothetical protein 0.0048 0.1378 0.1583
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0092 0.319 0.3666
Schistosoma mansoni nuclear hormone receptor 0.0043 0.1161 0.1882
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0092 0.319 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0043 0.1161 0.3638
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0641 0.2008
Brugia malayi hypothetical protein 0.0048 0.1378 0.0859
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0092 0.319 0.312
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0043 0.1161 0.0587
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Loa Loa (eye worm) hypothetical protein 0.0048 0.1378 0.1583
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Schistosoma mansoni nuclear receptor 0.0043 0.1161 0.1882
Schistosoma mansoni nuclear receptor nhr-48 0.0043 0.1161 0.1882
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.319 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0965 0.1101
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0965 0.3026
Loa Loa (eye worm) steroid hormone receptor 0.0092 0.319 0.3666
Loa Loa (eye worm) DR-78 0.0043 0.1161 0.1334
Brugia malayi photoreceptor-specific nuclear receptor 0.0092 0.319 0.312
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.1378 0.0859
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0092 0.319 0.312
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0092 0.319 1
Schistosoma mansoni RAR-like nuclear receptor 0.0092 0.319 1
Brugia malayi steroid hormone receptor 0.0092 0.319 0.312
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0092 0.319 0.312
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0048 0.1378 0.4319
Echinococcus granulosus nuclear factor of activated T cells 5 0.0079 0.2658 0.8332
Brugia malayi hypothetical protein 0.0043 0.1161 0.0587
Brugia malayi Nuclear hormone receptor-like 1 0.0092 0.319 0.312
Brugia malayi nuclear receptor NHR-88 0.0092 0.319 0.312
Echinococcus multilocularis nuclear receptor nhr 48 0.0043 0.1161 0.3638
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0092 0.319 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0092 0.319 0.312
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0092 0.319 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0092 0.319 0.312
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.1161 0.3638
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0043 0.1161 0.3638
Loa Loa (eye worm) hypothetical protein 0.0048 0.1378 0.1583
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0965 0.3026
Echinococcus granulosus Nuclear hormone receptor HR96 0.0043 0.1161 0.3638
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0092 0.319 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0092 0.319 0.312
Entamoeba histolytica hypothetical protein 0.0039 0.0965 0.5
Brugia malayi ecdysone receptor 0.0043 0.1161 0.0587
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0092 0.319 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.319 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0092 0.319 0.3666
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Loa Loa (eye worm) hypothetical protein 0.0048 0.1378 0.1583
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0048 0.1378 0.2751
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Loa Loa (eye worm) hypothetical protein 0.0092 0.319 0.3666
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.1334
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0092 0.319 0.312
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0043 0.1161 0.1882
Schistosoma mansoni nuclear hormone receptor 0.0092 0.319 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0043 0.1161 0.1334
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.8702 1
Onchocerca volvulus 0.0092 0.319 0.2685
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.069 0.2163
Entamoeba histolytica hypothetical protein 0.0039 0.0965 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.319 1
Brugia malayi hypothetical protein 0.0048 0.1378 0.0859
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0092 0.319 0.312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0092 0.319 0.3666
Schistosoma mansoni retinoic acid receptor RXR 0.0092 0.319 1

Activities

No activities found for this compound.

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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