METHSCOPOLAMINE


SMILES C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21
InChIKey LZCOQTDXKCNBEE-BPXZUEPWSA-N

Chemical properties

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

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations M5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 9.49 9.49 9.49 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 10.01 10.01 10.01 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.62 9.62 9.62 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.82 9.82 9.82 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.49 9.49 9.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 9.35 9.35 9.35 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 9.15 9.15 9.15 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 8.95 8.95 8.95 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 9.38 9.38 9.38 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.88 8.88 8.88 ChEMBL