Detailed information for compound 1583533

Basic information

Technical information
  • TDR Targets ID: 1583533
  • Name: 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpenta n-2-yl)phenol
  • MW: 323.432 | Formula: C20H25N3O
  • H donors: 1 H acceptors: 3 LogP: 6.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C
  • InChi: 1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3
  • InChiKey: IYAZLDLPUNDVAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
  • 2-(2-benzotriazolyl)-4-(1,1,3,3-tetramethylbutyl)phenol
  • 108021-89-2
  • 123307-21-1
  • 131242-52-9
  • 134018-56-7
  • 188025-34-5
  • 31016-94-1
  • 3147-75-9
  • 51656-56-5
  • 52188-76-8
  • 2-(2'-Hydroxy-5'-t-octylphenyl)benzotriazole
  • 2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole
  • 2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole
  • 2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole
  • 2-(2-Hydroxy-5-t-octylphenyl)benzotriazole
  • 2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole
  • 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole
  • 2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
  • 2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole
  • 2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole
  • 2-Benzotriazolyl-4-tert-octylphenol
  • Cyasorb 5411
  • Cyasorb UV 5411
  • EINECS 221-573-5
  • OCTRIZOLE
  • Octrizol [INN-Spanish]
  • Octrizole [USAN:INN]
  • Octrizolum [INN-Latin]
  • Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-
  • Seesorb 709
  • Spectra-Sorb UV 5411
  • Sumisorb 340
  • Tinuvin 329
  • UV Absorber-5
  • Viosorb 583
  • 2-Benzotriazol-2-yl-4-(1,1,3,3-tetramethyl-butyl)-phenol
  • BAS 00532115
  • ST5233562
  • Oprea1_301042
  • ZINC01849911
  • D05232
  • Octrizole (USAN)
  • NCGC00164139-01
  • 322806_ALDRICH
  • 2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 1, group H, member 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Echinococcus granulosus ecdysone induced protein 78C nuclear receptor subfamily 1, group H, member 4 476 aa 402 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus FTZ F1 alpha 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.5 0.5
Schistosoma mansoni coup transcription factor 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.5 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.5 0.5
Brugia malayi steroid hormone receptor 0.0024 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0024 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.5 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.5 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.5 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.5 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.5 0.5
Onchocerca volvulus 0.0024 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0024 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.5 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.5 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.5 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.0024 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.5 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.5 0.5
Brugia malayi nuclear hormone receptor 0.0024 0.5 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.5 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.5 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.5 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.5 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.5 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of farnesoid X receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.9441 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.7684 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6011 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6086 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 34.3762 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.1206 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.16 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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