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

General Information of Drug (ID: DR1406)
Drug Name
SRT-501
Synonyms
Resveratol; Resveratrol, natural; Resvida; SRT-501; SRT501; resveratrol; trans-resveratrol; (E)-5-(4-Hydroxystyryl)benzene-1,3-diol; (E)-resveratrol; 3,4',5-Stilbenetriol; 3,4',5-Trihydroxy-trans-stilbene; 3,4',5-Trihydroxystilbene; 3,4',5-trihydroxy-stilbene; 3,5,4'-Trihydroxy-trans-stilbene; 3,5,4'-Trihydroxystilbene; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; 501-36-0; CHEBI:45713; UNII-Q369O8926L
Indication Nephroptosis [ICD11: GB90] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 228.24 Topological Polar Surface Area 60.7
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
445154
PubChem SID
6374 ; 458391 ; 584207 ; 611168 ; 837578 ; 855986 ; 866574 ; 7890614 ; 8145576 ; 10299643 ; 10321586 ; 11537676 ; 12015089 ; 14822845 ; 17388746 ; 17405667 ; 22388006 ; 24278055 ; 24715042 ; 24860876 ; 26512266 ; 26612338 ; 26679661 ; 26697115 ; 26736772 ; 26747076 ; 26747077 ; 26751586 ; 26751587 ; 26759440 ; 29204531 ; 36887952 ; 46386962 ; 46493745 ; 46504705 ; 47291249 ; 47515445 ; 47589112 ; 47959898 ; 48035263 ; 48035264 ; 48185110 ; 48185111 ; 48334633 ; 48424038 ; 48425593 ; 49661756 ; 49698529 ; 49734167 ; 49833229
ChEBI ID
CHEBI:45713
CAS Number
375823-41-9
TTD Drug ID
D0U3EP
Formula
C14H12O3
Canonical SMILES
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
InChI
1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKey
LUKBXSAWLPMMSZ-OWOJBTEDSA-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
Piceatannol DM006007
667639
Oxidation - Hydrolyzationn 1 [5]
Trans-Resveratrol 3-O-|A-D-Glucuronide DM006009
154731284
Conjugation - Glycosylation 1 [5]
Trans-Resveratrol 4'-sulfate DM006008
29986833
Conjugation - Conjugation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006468 SRT-501 Piceatannol Oxidation - Hydrolyzationn CYP1A2 [5]
MR006469 SRT-501 Trans-Resveratrol 4'-sulfate Conjugation - Conjugation SULT1C2 [4]
MR006470 SRT-501 Trans-Resveratrol 3-O-|A-D-Glucuronide Conjugation - Glycosylation CYP1A2 [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
NADPH-dependent curcumin reductase (curA) DME1077 Escherichia coli
CURA_ECOLI
1.3.1.-
[3]
Sulfotransferase 1C2 (SULT1C2) DME0614 Homo sapiens
ST1C2_HUMAN
2.8.2.1
[4]
References
1 ClinicalTrials.gov (NCT03446625) Resveratrol as a Preventive Treatment of OHSS.
2 Involvement of cytochrome P450 1A2 in the biotransformation of trans-resveratrol in human liver microsomes. Biochem Pharmacol. 2004 Aug 15;68(4):773-82.
3 Discovery of the curcumin metabolic pathway involving a unique enzyme in an intestinal microorganism. Proc Natl Acad Sci U S A. 2011 Apr 19;108(16):6615-20.
4 Correlation of reactive oxygen species levels with resveratrol sensitivities of anaplastic thyroid cancer cells. Oxid Med Cell Longev. 2018 Jul 10;2018:6235417.
5 Bioactivity and metabolism of trans-resveratrol orally administered to Wistar rats

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