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

General Information of Drug (ID: DR0617)
Drug Name
Atenolol
Synonyms
Alinor; Anselol; Antipressan; Apo-Atenolol; Atcardil; Atecard; Atehexal; Atenblock; Atendol; Atenet; Atenil; Atereal; Aterol; Betablok; Betacard; Blokium; Corotenol; Cuxanorm; Duraatenolol; Evitocor; Farnormin; Felo-Bits; Hipres; Hypoten; Ibinolo; Internolol; Lo-ten; Lotenal; Myocord; Normalol; Normiten; Oraday; Plenacor; Premorine; Prenolol; Prenormine; Seles beta; Selobloc; Serten; Stermin; Tenidon; Tenoblock; Tenolol; Tenoprin; Tenormin; Tenormine; Tensimin; Tredol; Uniloc; Vascoten; Vericordin; Wesipin; atenolol; 29122-68-7; Altol; Ateni; Noten; Xaten
Indication Essential hypertension [ICD11: BA00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 266.34 Topological Polar Surface Area 84.6
Heavy Atom Count 19 Rotatable Bond Count 8
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
2249
PubChem SID
855957 ; 3206539 ; 5313665 ; 7847302 ; 7978734 ; 8149723 ; 8151519 ; 11335232 ; 11360471 ; 11364258 ; 11366820 ; 11369382 ; 11372514 ; 11373929 ; 11377544 ; 11461443 ; 11485218 ; 11489227 ; 11491263 ; 11492250 ; 11495178 ; 11528603 ; 12014149 ; 14799140 ; 17404684 ; 17436233 ; 24277748 ; 25623439 ; 26612180 ; 26679879 ; 26747108 ; 26747109 ; 26751696 ; 29221423 ; 46506915 ; 47193738 ; 47216616 ; 47216617 ; 47885249 ; 48184827 ; 48334310 ; 48415588 ; 49703475 ; 49878510 ; 50085956 ; 50104387 ; 50104388 ; 50330349 ; 53777227 ; 53789685
ChEBI ID
CHEBI:2904
CAS Number
29122-68-7
TTD Drug ID
D01UXC
Formula
C14H22N2O3
Canonical SMILES
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
InChI
1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKey
METKIMKYRPQLGS-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
Atenolol glucuronide metabolite DM001792 N. A. Conjugation - O-Glucuronidation 1 [3]
Atenolol metabolite M1 DM001791
53855778
Oxidation - Hydroxylation 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002933 Atenolol Atenolol metabolite M1 Oxidation - Hydroxylation CYP2D6 [3], [2]
MR002934 Atenolol Atenolol glucuronide metabolite Conjugation - O-Glucuronidation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Atenolol was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 DrugBank : Atenolol
3 Metabolism of atenolol in man. Xenobiotica. 1978 May;8(5):313-20.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.