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

General Information of Drug (ID: DR5958)
Drug Name
Acarbose
Synonyms
acarbose; 56180-94-0; Glucobay; Precose; Prandase; C25H43NO18; CHEBI:2376; CHEMBL3734896; BAY-g 5421; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose; SMR000466376; SR-01000759407; Acarbose/; Acarbose [USAN:BAN:INN:JAN]; Acarbose,(S); Precose (TN); AC1L26GM; Acarbose (JAN/USAN/INN); MLS006011898; MLS000759506; MLS001424056; SPECTRUM1505172; SCHEMBL5316305; CHEMBL404271; BDBM23406; MolPort-002-507-369
Indication Diabetic complication [ICD11: 5A2Y] Approved [1]
Cardiovascular disease [ICD11: ICD11: BA00-BE2Z] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 645.6 Topological Polar Surface Area 321
Heavy Atom Count 44 Rotatable Bond Count 9
Hydrogen Bond Donor Count 14 Hydrogen Bond Acceptor Count 19
Cross-matching ID
PubChem CID
41774
ChEBI ID
CHEBI:2376
CAS Number
56180-94-0
TTD Drug ID
D0AD5C
Formula
C25H43NO18
Canonical SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
InChI
InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
InChIKey
XUFXOAAUWZOOIT-UGEKTDRHSA-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
Glucose DM003485
5793
Hydrolysis - Hydrolysis 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008545 Acarbose Glucose Hydrolysis - Hydrolysis amyM [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Maltogenic alpha-amylase (amyM) DMEN769 Geobacillus stearothermophilus
AMYM_GEOSE
3.2.1.133
[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: 6791).
2 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: 6791).
3 Molecular and enzymatic characterization of a maltogenic amylase that hydrolyzes and transglycosylates acarbose

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