IPRATROPIUM


SMILES CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
InChIKey OEXHQOGQTVQTAT-BHIXFJMTSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 332.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 9.74 9.74 9.74 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 9.11 9.11 9.11 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.54 9.54 9.54 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.98 8.98 8.98 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.42 9.42 9.42 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.08 9.44 9.72 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.9 9.14 9.38 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.82 9.09 9.36 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.03 8.03 8.03 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 8.04 8.04 8.04 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.06 8.06 8.06 Drug Central
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.04 8.04 8.04 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.02 8.02 8.02 Drug Central
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 8.01 8.01 8.01 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 8.68 8.72 8.77 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 8.65 8.68 8.7 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.54 8.56 8.58 ChEMBL