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Compound Detail

CHEMBL371197

TRIDOLGOSIR
🧪 Phase II
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🧪 Phase II
O[C@H]1[C@H]2[C@H](O)CCCN2C[C@H]1O

Basic Information

ChEMBL ID CHEMBL371197
Name TRIDOLGOSIR
Phase Phase II
Structure Type MOL
InChI Key FXUAIOOAOAVCGD-WCTZXXKLSA-N

Known Names

Swainsonine Tridolgosir
7
Targets
15
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

173.2
MW (Da)
-1.45
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Year 2000

Extended Properties

Molecular Formula C8H15NO3
MW 173.21
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.57

Activity Summary

IC50 10 meas. best 8.3
Ki 5 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B
CHEMBL1697673
Ki 8.52 8.52 3.0 1
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B
CHEMBL1697673
IC50 8.3 8.3 5.0 1
Lysosomal alpha-mannosidase
CHEMBL4059
IC50 8.0 6.6667 10.0 3
Unchecked
CHEMBL612545
IC50 7.96 7.44 11.0 4
Unchecked
CHEMBL612545
Ki 7.7 7.255 20.0 2
Alpha-mannosidase
CHEMBL4193
IC50 6.4 6.4 400.0 1
Alpha-mannosidase 2C1
CHEMBL2852
IC50 5.76 5.76 1750.0 1
Alpha-1,2-mannosidase (BT_3990)
CHEMBL5316241
Ki 5.3 5.3 5000.0 1
Alpha-1,2-mannosidase (BT_2199)
CHEMBL5316242
Ki 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B Ki = 3.0 nM 8.52 Inhibition of Drosophila melanogaster GM2b by spectrophotometry 21295890
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B IC50 = 5.0 nM 8.3 Inhibition of Drosophila melanogaster GM2b by spectrophotometry 21295890
Lysosomal alpha-mannosidase IC50 = 10.0 nM 8.0 Inhibition of alpha-mannosidase in human HCEC 18599296
Unchecked IC50 = 11.0 nM 7.96 Inhibition of Drosophila melanogaster LM408 by spectrophotometry 21295890
Unchecked Ki = 20.0 nM 7.7 Inhibition of drosophila golgi alpha-mannosidase 2 18599296
Unchecked IC50 = 40.0 nM 7.4 Inhibition of jack bean alpha-mannosidase 18599296
Unchecked IC50 = 40.0 nM 7.4 Inhibition of drosophila golgi alpha-mannosidase 2 18599296
Lysosomal alpha-mannosidase IC50 = 50.0 nM 7.3 Inhibition of alpha-mannosidase in human LN18 cells 18599296
Unchecked IC50 = 100.0 nM 7.0 Inhibition of jack bean alpha-mannosidase assessed as p-nitrophenol release usin... 22001328
Unchecked Ki = 155.0 nM 6.81 Inhibition of jack bean alpha-mannosidase 18599296
Alpha-mannosidase IC50 = 400.0 nM 6.4 Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean 15974577
Alpha-mannosidase 2C1 IC50 = 1750.0 nM 5.76 Inhibitory activity against Mannosidase in jack bean (Canavalia ensiformis) 2504921
Alpha-1,2-mannosidase (BT_3990) Ki = 5000.0 nM 5.3 Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed ... 20081828
Alpha-1,2-mannosidase (BT_2199) Ki = 14000.0 nM 4.85 Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed ... 20081828
Lysosomal alpha-mannosidase IC50 = 20000.0 nM 4.7 Inhibition of alpha-mannosidase in human LNZ308 cells 18599296

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
17897956 10.1074/jbc.m706923200 Jurkat 9
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
17897956 10.1074/jbc.m706923200 No relevant target 6
17897956 10.1074/jbc.m706923200 Tyrosine-protein kinase Lck 4
18599296 10.1016/j.bmc.2008.06.021 Unchecked 4
17897956 10.1074/jbc.m706923200 Unchecked 3
17897956 10.1074/jbc.m706923200 T-cell 3
18599296 10.1016/j.bmc.2008.06.021 Lysosomal alpha-mannosidase 3
17897956 10.1074/jbc.m706923200 Tyrosine-protein kinase ZAP-70 2
17897956 10.1074/jbc.m706923200 Linker for activation of T-cells family member 1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21295890 10.1016/j.ejmech.2011.01.012 Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
1710653 10.1021/np50073a012 Human immunodeficiency virus type 1 reverse transcriptase 1
21295890 10.1016/j.ejmech.2011.01.012 Unchecked 1
20081828 10.1038/nchembio.278 Alpha-1,2-mannosidase (BT_3990) 1
7673932 10.1021/np50120a009 Unchecked 1
8229017 10.1021/np50098a020 Unchecked 1
2504921 10.1021/jm00129a011 Alpha-mannosidase 2C1 1

Data from ChEMBL 36 via Core Engine