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Compound Detail

CHEMBL4296740

BUTYLATED HYDROXYANISOLE
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COc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)cc1C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4296740
Name BUTYLATED HYDROXYANISOLE
Phase Preclinical
Structure Type MOL
InChI Key CZBZUDVBLSSABA-UHFFFAOYSA-N

Known Names

2(3)-tert-butyl-4-hydroxyanisole 3-tertiary-butyl-4-hydroxyanisole Antioxyne b Butylated hydroxyanisole Butylhydroxyanisole Butylhydroxyanisolum E-320 Embanox FEMA NO. 2183 INS NO.320 INS-320 Tert-butyl-4-methoxyphenol +1 more
4
Targets
19
Activities
2
Assay Types
0
PK Parameters
20
Publications
13
Known Names

Molecular Properties

360.5
MW (Da)

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C22H32O4
MW 360.49

Activity Summary

IC50 17 meas. best 7.0
EC50 2 meas. best 4.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Radical scavenging activity
CHEMBL613712
 IC50 7.0 4.71 100.0 8
HL-60
CHEMBL383
 IC50 5.86 5.86 1380.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.0 4.8467 10000.0 3
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.93 4.93 11700.0 1
No relevant target
CHEMBL2362975
 IC50 4.72 4.72 19000.0 1
Radical scavenging activity
CHEMBL613712
 EC50 4.01 4.01 97090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Radical scavenging activity IC50 = 100.0 nM 7.0 Antioxidant activity assessed as DPPH radical scavenging activity after 15 mins ... 23811091
HL-60 IC50 = 1380.0 nM 5.86 Induction of DNA fragmentation in human HL60 cells after 16 hrs 16279782
NON-PROTEIN TARGET IC50 = 10000.0 nM 5.0 Antioxidant activity assessed as superoxide radical anion scavenging activity af... 16499338
NON-PROTEIN TARGET IC50 = 10710.0 nM 4.97 Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... 19450986
NON-PROTEIN TARGET EC50 = 11700.0 nM 4.93 Antioxidant activity assessed as ABTS radical scavenging activity after 30 mins 17511503
Radical scavenging activity IC50 = 18000.0 nM 4.75 Antioxidant activity assessed as DPPH free radical scavenging activity 15620243
No relevant target IC50 = 19000.0 nM 4.72 Antioxidant activity assessed as DPPH radical scavenging activity incubated at r... 25278230
NON-PROTEIN TARGET IC50 = 27100.0 nM 4.57 Antioxidant activity assessed as superoxide radical scavenging activity by phena... 19215141
Radical scavenging activity IC50 = 28200.0 nM 4.55 Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... 24185379
Radical scavenging activity IC50 = 34000.0 nM 4.47 Antioxidant activity assessed as DPPH free radical scavenging activity 17196384
Radical scavenging activity IC50 = 43000.0 nM 4.37 Antioxidant activity assessed as DPPH free radical scavenging activity 19464173
Radical scavenging activity IC50 = 44000.0 nM 4.36 Antioxidant activity assessed as DPPH radical scavenging activity 15730241
Radical scavenging activity IC50 = 79160.0 nM 4.1 Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... 18986201
Radical scavenging activity IC50 = 82970.0 nM 4.08 Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins 19450986
Radical scavenging activity EC50 = 97090.0 nM 4.01 Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins 17511503

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885861 Rattus norvegicus 1377
458807 10.1021/jm00191a020 Mus musculus 8
16325403 10.1016/j.bmcl.2005.11.035 Radical scavenging activity 5
27318538 10.1016/j.bmcl.2016.06.005 No relevant target 5
19683932 10.1016/j.bmc.2009.07.077 NON-PROTEIN TARGET 4
26631319 10.1016/j.bmcl.2015.11.038 No relevant target 4
20947350 10.1016/j.bmcl.2010.09.018 NON-PROTEIN TARGET 4
16279782 10.1021/jm050567w L1210 3
- 10.1039/C2MD20270K NON-PROTEIN TARGET 3
1522419 10.1021/np50084a012 Streptococcus mutans 3
18722035 10.1016/j.ejmech.2008.07.006 NON-PROTEIN TARGET 2
19215141 10.1021/np800671p NON-PROTEIN TARGET 2
458807 10.1021/jm00191a020 NON-PROTEIN TARGET 2
19450986 10.1016/j.bmc.2009.04.064 NON-PROTEIN TARGET 2
1522419 10.1021/np50084a012 Cutibacterium acnes 2
1522419 10.1021/np50084a012 Staphylococcus aureus 2
1522419 10.1021/np50084a012 Corynebacterium ammoniagenes 2
1522419 10.1021/np50084a012 Bacillus subtilis 2
18986201 10.1021/np800564z NON-PROTEIN TARGET 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine