Details of the Drug

General Information of Drug (ID: DMRZBPI)

Drug Name

YM-543

Synonyms

ASP-543; SGLT-2 inhibitor (oral, diabetes), Astellas/Kotobuki

Indication

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

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

499.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C28H37NO7
IUPAC Name: 4-(azulen-2-ylmethyl)-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenolate;2-hydroxyethyl(trimethyl)azanium
Canonical SMILES: C[N+](C)(C)CCO.C1=CC=C2C=C(C=C2C=C1)CC3=CC(=C(C=C3)[O-])[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C23H24O6.C5H14NO/c24-12-19-20(26)21(27)22(28)23(29-19)17-11-13(6-7-18(17)25)8-14-9-15-4-2-1-3-5-16(15)10-14;1-6(2,3)4-5-7/h1-7,9-11,19-28H,8,12H2;7H,4-5H2,1-3H3/q;+1/p-1/t19-,20-,21+,22-,23+;/m1./s1
InChIKey: UKOOBSDARBTSHN-NGOMLPPMSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium/glucose cotransporter 2 (SGLT2)	TTLWPVF	SC5A2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00454233) A Safety and Efficacy Study With YM543 in Type 2 Diabetes Mellitus Subjects. U.S. National Institutes of Health.
2	Pharmacological Characterization of YM543, a Newly Synthesized, Orally Active SGLT2 Selective Inhibitor. Endocr Res. 2013 Aug;38(3):168-183.