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

General Information of Drug (ID: DR5173)
Drug Name
Terbutaline
Synonyms
Asthmasian; Brethaire; Brethine; Brican; Bricanyl; Bricar; Bricaril; Bricyn; Terbutalin; Terbutalina; Terbutalino; Terbutalinum; Terbutalina [DCIT]; Terbutaline sulfate; KWD 2019; Asthmasian (TN); Brethaire (TN); Brethine (TN); Bricanyl (TN); KWD-2019; Terbutaline (INN); Terbutaline [INN:BAN]; Terbutalino [INN-Spanish]; Terbutalinum [INN-Latin]; (+-)-5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol; (+-)-Terbutaline; 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-(9CI); 5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-BENZENEDIOL; 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol; 5-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol
Indication Asthma [ICD11: CA23] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 225.28 Topological Polar Surface Area 72.7
Heavy Atom Count 16 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5403
ChEBI ID
CHEBI:9449
CAS Number
23031-25-6
TTD Drug ID
D0M8RC
Formula
C12H19NO3
Canonical SMILES
CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O
InChI
InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
InChIKey
XWTYSIMOBUGWOL-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
Terbutaline Glucuronide DM016926 N. A. Conjugation - Glucuronidation 1 [4]
Terbutaline Sulfate DM015284
441334
Conjugation - Sulfate conjugation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007760 Terbutaline Terbutaline Sulfate Conjugation - Sulfate conjugation SULT1A1 [4]
MR007761 Terbutaline Terbutaline Glucuronide Conjugation - Glucuronidation UGT [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arylsulfatase A (ARSA) DME0193 Homo sapiens
ARSA_HUMAN
3.1.6.8
[2]
Beta-glucuronidase (GUSB) DME0106 Homo sapiens
BGLR_HUMAN
3.2.1.31
[3]
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: 560).
2 Metabolism of terbutaline in man and dog
3 The metabolism of terbutaline in man
4 Elimination pathways of terbutaline

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