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Compound Detail

CHEMBL454551

L-RADICAMINE A
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COc1ccc([C@@H]2N[C@@H](CO)[C@H](O)[C@H]2O)cc1O

Basic Information

ChEMBL ID CHEMBL454551
Name L-RADICAMINE A
Phase Preclinical
Structure Type MOL
InChI Key NEAQPVOYHYPSER-BVALORAHSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
-0.87
ALogP
6
HBA
5
HBD
102.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H17NO5
MW 255.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.67

Activity Summary

IC50 5 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maltase-glucoamylase
CHEMBL2074
IC50 5.17 5.17 6700.0 1
Unchecked
CHEMBL612545
IC50 4.6 4.6 25210.0 1
Alpha-mannosidase
CHEMBL3392945
IC50 4.55 4.55 28000.0 1
Tissue alpha-L-fucosidase
CHEMBL3545
IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19008111 10.1016/j.bmc.2008.10.063 Unchecked 4
31927314 10.1016/j.ejmech.2020.112034 Maltase-glucoamylase 1
31927314 10.1016/j.ejmech.2020.112034 Unchecked 1
31927314 10.1016/j.ejmech.2020.112034 Tissue alpha-L-fucosidase 1
31927314 10.1016/j.ejmech.2020.112034 Alpha-mannosidase 1

Data from ChEMBL 36 via Core Engine