dexmedetomidine [2888]



dexmedetomidine


SMILES Cc1cccc([C@H](C)c2c[nH]cn2)c1C
InChIKey CUHVIMMYOGQXCV-NSHDSACASA-N

Chemical Properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Log P 3.178
Molecular weight (Da) 200.1
Stereochemistry info full

Database connections

Structure pdb 6K42 9CBM 7EJA 6K41
Model (Boltz2) α2A α2C α2B
Ligand site mutations α2A α2B
GPCRdb related ligands

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

dexmedetomidine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 12
Phase II 15
Phase III 30
Phase IV 6

Database connections

Structure pdb 6K42 9CBM 7EJA 6K41
Model (Boltz2) α2A α2C α2B
Ligand site mutations α2A α2B
GPCRdb related ligands

Sankey plot

Drug Information

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