Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5259)
Drug Name
Probucol
Synonyms
Biphenabid; Bisbid; Bisphenabid; Lesterol; Lorelco; Lursell; Lurselle; Panavir; Probucolum; Sinlestal; Superlipid; Almirall Brand of Probucol; Aventis Brand of Probucol; Hoechst Brand of Probucol; DH 581; DH581; DE-3872; DH-581; LORELCO (TN); Probucolum [INN-Latin]; ZERO/001429; Probucol (JAN/USP/INN); Probucol [USAN:BAN:INN:JAN]; Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; Acetone, bis (3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol; 4,4'-(Isopropylidenedithio)bis(2, 6-di-tert-butylphenol); 4,4'-(Isopropylidenedithio)bis(2,6-di-tert-butylphenol); 4,4'-(Isopropylidenedithio)bis[2, 6-di-tert-butylphenol]; 4,4'-(Isopropylidenedithio)bis[2,6-di-tert-butylphenol]; 4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol); 4,4'-[(1-Methylethylidene)bis(thio)]bis-[2,6-bis(1,1-dimethylethyl)phenol]
Indication Atherosclerosis [ICD11: BA80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 516.799 Topological Polar Surface Area 91.1
Heavy Atom Count 35 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
4912
ChEBI ID
CHEBI:8427
CAS Number
23288-49-5
TTD Drug ID
D0H2DQ
Formula
C31H48O2S2
Canonical SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
InChIKey
FYPMFJGVHOHGLL-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Diphenoquinone (DQ) DM014933
10310
Unclear - Unclear 1 [3]
Spiroquinone (SQ) DM016914 N. A. Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007739 Probucol Diphenoquinone (DQ) Unclear - Unclear Unclear [3]
MR007740 Probucol Spiroquinone (SQ) Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta,beta-carotene 15,15'-dioxygenase (BCO1) DME0084 Homo sapiens
BCDO1_HUMAN
1.13.11.63
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7277).
2 Some natural and synthetic antioxidants as stabilizers of beta-carotene conversion into vitamin A
3 Caveolin-1 facilitates internalization and degradation of ABCA1 and probucol oxidative products interfere with this reaction to increase HDL biogenesis

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