General Information of the Compound
Compound ID
CP0077627
Compound Name
(-)-swainsonine
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Synonyms
Carbohydrate processing inhibitors, GLYCODesign
GD-0039
GD-0039 analogs, GlycoDESIGN
Swainsonine
Swainsonine hydrochloride
Transforming growth factor beta inhibitors, GLYCODesign
Tridolgosir
Tridolgosir hydrochloride
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Structure
Formula
C8H15NO3
Molecular Weight
173.212
Canonical SMILES
O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
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InChI
InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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InChIKey
FXUAIOOAOAVCGD-WCTZXXKLSA-N
CAS
72741-87-8
Physicochemical Property
logP
-1.4529
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
63.93
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 51683
SID: 15147194
ChEMBL ID
CHEMBL371197
DrugBank ID
DB02034
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03480, Lysosomal alpha-mannosidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000424 LN-18 Homo sapiens (Human)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
CL000418 LN-308 Homo sapiens (Human)  1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
Clinical Information about the Compound
Drug 1 ( Tridolgosir )
Drug Name Tridolgosir
Company GLYCODesign Inc
Indication
Solid tumour/cancer
Discontinued in Phase 2
Target(s)
Golgi alpha-mannosidase II (MAN2A1)
Inhibitor