SCOPOLAMINE


SMILES CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
InChIKey STECJAGHUSJQJN-UHFFFAOYSA-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 No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.1 9.48 9.68 PDSP Ki database
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 9.85 9.85 9.85 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.96 8.96 8.96 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.7 9.03 9.36 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.36 9.36 9.36 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.85 8.85 8.85 PDSP Ki database
M4 ACM4 Chicken Acetylcholine (muscarinic) A pKi 9.03 9.03 9.03 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 9.74 9.74 9.74 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.68 8.68 8.68 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.73 9.73 9.73 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database