Details of the Drug

General Information of Drug (ID: DMK56G0)

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

Disease Entry	ICD 11	Status	REF
Type 2 diabetes	5A11	Approved	[1]
Type-2 diabetes	5A11	Phase 3	[2]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

464.9

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C24H29ClO7
IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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

Cross-matching ID

PubChem CID: 25195624
CAS Number: 1118567-05-7
DrugBank ID: DB12236
TTD ID: D0OR3G
VARIDT ID: DR01083

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
SLC5A2 messenger RNA (SLC5A2 mRNA)	TTF8JAT	SC5A2_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sodium/glucose cotransporter 2 (SLC5A2)	OT93UUDI	SC5A2_HUMAN	Gene/Protein Processing	[3]
UDP-glucuronosyltransferase 1A9	OTPCHAFX	UD19_HUMAN	Regulation of Drug Effects	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification

05 Endocrine, nutritional or metabolic disease

Disease Class

ICD-11: 5A11 Type 2 diabetes mellitus

The Studied Tissue

Liver tissue

The Studied Disease

Type 2 diabetes [ICD-11:5A11]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
SLC5A2 messenger RNA (SLC5A2 mRNA)	DTT	SLC5A2	3.26E-01	-0.09	-0.37

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 2023. Application Number: 214373.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	EGT1442, a potent and selective SGLT2 inhibitor, attenuates blood glucose and HbA(1c) levels in db/db mice and prolongs the survival of stroke-prone rats. Pharmacol Res. 2011 Apr;63(4):284-93. doi: 10.1016/j.phrs.2011.01.001. Epub 2011 Jan 5.
4	Bexagliflozin: First Approval. Drugs. 2023 Apr;83(5):447-453. doi: 10.1007/s40265-023-01848-x.