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

General Information of Drug (ID: DR3450)
Drug Name
Bexagliflozin
Synonyms
UNII-EY00JF42FV; EGT-1442; Bexagliflozin [USAN]; THR-1442; EY00JF42FV; CHEMBL1808388; 1118567-05-7; Bexagliflozin (USAN); D-Glucitol, 1,5-anhydro-1-C-(4-chloro-3-((4-(2-(cyclopropyloxy)ethoxy)phenyl)methyl)phenyl)-, (1S)-; (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-(2-cyclopropoxyethoxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol; (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[2-(cyclopropyloxy)ethoxy]phenyl]methyl]phenyl]-D-glucitol; EGT1442; D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[2-(cyclopropylo
Indication Type-2 diabetes [ICD11: 5A11] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 464.9 Topological Polar Surface Area 109
Heavy Atom Count 32 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
25195624
CAS Number
1118567-05-7
TTD Drug ID
D0OR3G
Formula
C24H29ClO7
Canonical SMILES
C1CC1OCCOC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl
InChI
InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1
InChIKey
BTCRKOKVYTVOLU-SJSRKZJXSA-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
EGT0001301 DM019133 N. A. Oxidation - Oxidation 1 [2]
EGT0001663 DM019135 N. A. Unclear - Unclear 1 [2]
EGT0002147 DM019138 N. A. Unclear - Unclear 1 [2]
EGT0002148 DM019137 N. A. Unclear - Unclear 1 [2]
EGT0002149 DM019136 N. A. Conjugation - O-glucuronidation 1 [2]
EGT0001494 DM019134 N. A. Oxidation - Oxidation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011594 Bexagliflozin EGT0001301 Oxidation - Oxidation CYP3A4 ... [2]
MR011596 Bexagliflozin EGT0001663 Unclear - Unclear Unclear [2]
MR011597 Bexagliflozin EGT0002149 Conjugation - O-glucuronidation UGT1A1 ... [2]
MR011598 Bexagliflozin EGT0002148 Unclear - Unclear Unclear [2]
MR011599 Bexagliflozin EGT0002147 Unclear - Unclear Unclear [2]
MR011595 EGT0001301 EGT0001494 Oxidation - Oxidation CYP3A4 [2]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT02836873) Safety and Efficacy of Bexagliflozin in Type 2 Diabetes Mellitus Patients With Moderate Renal Impairment. U.S. National Institutes of Health.
2 Metabolism and disposition of the SGLT2 inhibitor bexagliflozin in rats, monkeys and humans

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