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

General Information of Drug (ID: DR1755)
Drug Name
Empagliflozin
Synonyms
Empagliflozin; Empagliflozin (BI 10773); HDC1R2M35U; BI 10773; BI-10773; BI10773; JARDIANCE; (1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol; (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol; 1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzene; 864070-44-0; CHEBI:82720; UNII-HDC1R2M35U
Indication Diabetes mellitus [ICD11: 5A10] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 450.9 Topological Polar Surface Area 109
Heavy Atom Count 31 Rotatable Bond Count 6
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
11949646
PubChem SID
17390987 ; 23917761 ; 35020536 ; 80625411 ; 135267035 ; 136350032 ; 137759455 ; 160647541 ; 160671533 ; 162201844 ; 163620871 ; 170500874 ; 172232552 ; 178101464 ; 186021010 ; 189024748 ; 198945623 ; 206246269 ; 211535427 ; 223447440 ; 223471392 ; 223602217 ; 223701070 ; 227166637 ; 241383513 ; 242077478 ; 245606277 ; 249737155 ; 249865857 ; 251963060 ; 252067199 ; 252159682 ; 252215347
ChEBI ID
CHEBI:82720
CAS Number
864070-44-0
TTD Drug ID
D06ALD
Formula
C23H27ClO7
Canonical SMILES
C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl
InChI
1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1
InChIKey
OBWASQILIWPZMG-QZMOQZSNSA-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
Empagliflozin-2-glucuronide DM006386 N. A. Conjugation - O-glucuronidation 1 [3]
Empagliflozin-3-glucuronide DM006387 N. A. Unclear 1 [3]
Empagliflozin-6-glucuronide DM006388 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006862 Empagliflozin Empagliflozin-2-glucuronide Conjugation - O-glucuronidation UGT1A3 ... [3]
MR006863 Empagliflozin Empagliflozin-3-glucuronide Unclear Unclear [3]
MR006864 Empagliflozin Empagliflozin-6-glucuronide Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 Empagliflozin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Empagliflozin (Jardiance): a novel SGLT2 inhibitor for the treatment of type-2 diabetes. P T. 2015 Jun;40(6):364-8.
3 Pharmacokinetics, Pharmacodynamics and Clinical Use of SGLT2 Inhibitors in Patients with Type 2 Diabetes Mellitus and Chronic Kidney Disease

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