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
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.