SCOPOLAMINE


SMILES CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12
InChIKey STECJAGHUSJQJN-ODICJLLRSA-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
M3 ACM3 Rat Acetylcholine (muscarinic) A pKd 9.19 9.19 9.19 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.34 8.34 8.34 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKd 8.52 8.52 8.52 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.28 9.28 9.28 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKd 9.12 9.12 9.12 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.75 8.32 8.89 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.43 7.43 7.43 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.19 8.19 8.19 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.54 8.25 8.52 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.12 8.12 8.12 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.03 8.03 8.03 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.03 8.03 8.03 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
M1 ACM1 Fruit fly Acetylcholine (muscarinic) A pKi 8.04 8.04 8.04 Drug Central
M2 ACM2 Rat Acetylcholine (muscarinic) A pKd 8.07 8.07 8.07 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.03 8.03 8.03 Drug Central
M3 ACM3 Rat Acetylcholine (muscarinic) A pKd 8.04 8.04 8.04 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 8.27 8.65 9.24 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.36 8.62 8.82 ChEMBL