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Compound Detail

CHEMBL1172893

GALANTHINE
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COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)C=C3CCN(C2)[C@H]31

Basic Information

ChEMBL ID CHEMBL1172893
Name GALANTHINE
Phase Preclinical
Structure Type MOL
InChI Key VOIMPDXOQJYVDI-WNRNVDISSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
1.69
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.86
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 C18H23NO4
MW 317.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.17

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 6100.0 nM 5.21 Inhibition of AChE (unknown origin) 28898076

Literature References

Data from ChEMBL 36 via Core Engine