scopolamine


SMILES OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C
InChIKey STECJAGHUSJQJN-FWXGHANASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 303.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations M1 M3

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.0 9.0 9.0 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.4 9.4 9.4 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.1 9.3 9.5 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.7 8.7 8.7 Guide to Pharmacology
M1 ACM1 Fruit fly Acetylcholine (muscarinic) A pKi 8.96 9.05 9.15 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.7 8.7 8.7 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database