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]
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
PubChem CID
11998655
CAS Number
1610007-47-0
TTD ID
D0H2NI
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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.