tiotropium



tiotropium


SMILES C[N+]1(C)[C@@H]2CC(OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12
InChIKey LERNTVKEWCAPOY-FPISHFTHSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 392.1

Database connections

Structure pdb 4DAJ 4U15 4U14 5DSG 6OL9
Ligand site mutations M1 M3

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

tiotropium


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 2
Phase III 0
Phase IV 5

Database connections

Structure pdb 4DAJ 4U15 4U14 5DSG 6OL9
Ligand site mutations M1 M3

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score