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
PubChem CID
46879415
TTD ID
D0J2JM

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.