CHEMBL3139995 [216125]



CHEMBL3139995


SMILES CC(C(=O)O[C@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C)(c1cccs1)c1cccs1
InChIKey CGSQALZMKDKZFG-XBDAJRGFSA-N

Chemical Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Log P 3.416
Molecular weight (Da) 390.1
Stereochemistry info full

Database connections

Ligand site mutations 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

CHEMBL3139995


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Ligand site mutations M3

Compound is not listed as a drug.