N-methyl scopolamine



N-methyl scopolamine


SMILES C[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
InChIKey LZCOQTDXKCNBEE-XJMZPCNVSA-N

Chemical Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 318.2

Database connections

Structure pdb 4U16 5ZK8 5ZKC 5YC8
Ligand site mutations M1 M2 M3 M4

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

N-methyl scopolamine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 3

Database connections

Structure pdb 4U16 5ZK8 5ZKC 5YC8
Ligand site mutations M1 M2 M3 M4

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score