BUTYLATED HYDROXYTOLUENE

Search structure
Synonyms:
BHT
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1P9D0Z171K

Structure
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Smile Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O
Molecular Weight 220.36
AlogP 4.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 630 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Asthma 1 D001249 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials

Cross References

Resources Reference
ChEBI 34247
ChEMBL CHEMBL146
EPA CompTox DTXSID2020216
FDA SRS 1P9D0Z171K
Human Metabolome Database HMDB0033826
KEGG C14693
PubChem 31404
SureChEMBL SCHEMBL3950
ZINC ZINC000001481993
CONTENTS