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

General Information of Drug (ID: DR1595)
Drug Name
Timolol maleate
Synonyms
Timacor; Timolol hydrogen maleate; Timolol maleate salt; Timoptic in Ocudose; UNII-P8Y54F701R; l-Timolol maleate; (-)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate; (S)-Timolol (Maleate); (S)-Timolol hydrogen maleate; (S)-Timolol maleate; 26921-17-5; Betime; C13H24N4O3S.C4H4O4; CCRIS 1057; CHEBI:9600; EINECS 248-111-5; MFCD00058356; MK 950; MLS000028539; P8Y54F701R; SMR000058305
Indication Essential hypertension [ICD11: BA00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 432.5 Topological Polar Surface Area 183
Heavy Atom Count 29 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
5281056
ChEBI ID
CHEBI:9600
CAS Number
26921-17-5
TTD Drug ID
D05UVD
Formula
C17H28N4O7S
Canonical SMILES
CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O.C(=CC(=O)O)C(=O)O
InChI
1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1
InChIKey
WLRMANUAADYWEA-NWASOUNVSA-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
M1 metabolite, timolol DM004649 N. A. Oxidation - Hydrolyzationn 1 [2] , [4]
Timolol maleate Metabolite M2 DM004652
5478
Unclear 1 [2]
Timolol maleate Metabolite M3 DM004651 N. A. Unclear 2 [2]
Timolol maleate Metabolite M4 DM004650 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004994 Timolol maleate M1 metabolite, timolol Oxidation - Hydrolyzationn CYP1A2 ... [2], [4]
MR004997 Timolol maleate Timolol maleate Metabolite M2 Unclear CYP1A2 ... [2]
MR004995 M1 metabolite, timolol Timolol maleate Metabolite M4 Unclear CYP1A2 ... [2]
MR004996 M1 metabolite, timolol Timolol maleate Metabolite M3 Unclear CYP2A6 ... [2]
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]
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[4]
⏷ Show the Full List of 8  DME(s)
References
1 Timolol Maleate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Timolol metabolism in human liver microsomes is mediated principally by CYP2D6. Drug Metab Dispos. 2007 Jul;35(7):1135-41.
3 Cardiac safety of ophthalmic timolol. Expert Opin Drug Saf. 2016 Nov;15(11):1549-1561.
4 Metabolism of ophthalmic timolol: new aspects of an old drug. Basic Clin Pharmacol Toxicol. 2011 May;108(5):297-303.

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