Details of the Drug

General Information of Drug (ID: DMHV14R)

Drug Name

Alpha-acarviosinyl-(1-->7)-3-alpha-D-glucopyranosylpropen

Synonyms

156715-37-6

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

462.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

11

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C25H31N2NaO5
IUPAC Name: sodium;3-[2-[[(1R,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate
Canonical SMILES: CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@H]([C@@H]2CC4=CC=CC=C4CCC(=O)[O-])O3.[Na+]
InChI: InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/p-1/t18-,20+,21+,23-;/m0./s1
InChIKey: WOHSQDNIXPEQAE-SLWCZEQYSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pancreatic alpha-amylase (AMY2A)	TTCGSZ4	AMYP_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Enzymatic synthesis of a selective inhibitor for alpha-glucosidases: alpha-acarviosinyl-(1-->9)-3-alpha-D-glucopyranosylpropen. J Agric Food Chem. 2008 Jul 9;56(13):5324-30.