Details of the Drug

General Information of Drug (ID: DMFH79T)

Drug Name

UNIFLORINE B

Synonyms

uniflorine B; CHEMBL1082047

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

205.21

Logarithm of the Partition Coefficient (xlogp)

-2.8

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C8H15NO5
IUPAC Name: (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol
Canonical SMILES: C1[C@H]([C@H]([C@H]2[C@@H]([C@@H](CN2[C@@H]1O)O)O)O)O
InChI: InChI=1S/C8H15NO5/c10-3-1-5(12)9-2-4(11)8(14)6(9)7(3)13/h3-8,10-14H,1-2H2/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKey: HHLGVTQXFOVXKK-CVBHLRHXSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysosomal alpha-glucosidase (GAA)	TTLPC70	LYAG_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Total synthesis of (-)-uniflorine A. J Nat Prod. 2009 Nov;72(11):2058-60.