Details of the Drug

General Information of Drug (ID: DMPZFDE)

Drug Name
CASTANOSPERMINE
Synonyms MDL-26190; (1S,6S,7R,8R,8aR)-1,6,7,8-Tetrahydroxyoctahydroindolizine
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 189.21
Logarithm of the Partition Coefficient (xlogp) -2.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H15NO4
IUPAC Name
(1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
Canonical SMILES
C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O
InChI
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
InChIKey
JDVVGAQPNNXQDW-TVNFTVLESA-N
Cross-matching ID
PubChem CID
54445
ChEBI ID
CHEBI:27860
CAS Number
79831-76-8
UNII
Q0I3184XM7
DrugBank ID
DB01816
TTD ID
D09NYB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucosidase unspecific (GAN) TTQRL1H NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004537)
2 Castanospermine inhibits alpha-glucosidase activities and alters glycogen distribution in animals. Proc Natl Acad Sci U S A. 1985 Jan;82(1):93-7.