dexmedetomidine


SMILES Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C
InChIKey CUHVIMMYOGQXCV-NSHDSACASA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 200.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6K41 6K42 7EJA
Ligand site mutations α2A α2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pKi 7.6 8.6 9.6 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 7.5 8.6 9.7 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 7.0 8.15 9.3 Guide to Pharmacology
α2A ADA2A Rat Adrenoceptors A pKi 8.3 9.98 10.82 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.51 7.51 7.51 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 10.82 10.82 10.82 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.6 8.6 8.6 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 7.97 7.97 7.97 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.01 8.01 8.01 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.03 8.03 8.03 Drug Central
α2A ADA2A Rat Adrenoceptors A pKi 7.97 7.97 7.97 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Bovine Adrenoceptors A pEC50 6.42 6.42 6.42 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 9.32 9.32 9.32 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 8.67 8.86 9.1 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 8.05 8.05 8.05 Drug Central
α1A ADA1A Bovine Adrenoceptors A pEC50 8.19 8.19 8.19 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL