dexmedetomidine   Click here for help

GtoPdb Ligand ID: 521

Synonyms: Dexdor® | Igalmi® (dexmedetomidine sublingual film) | MPV 1440 | Precedex®
Approved drug PDB Ligand
dexmedetomidine is an approved drug (FDA (1999), EMA (2011))
Compound class: Synthetic organic
Comment: Dexmedetomidine is a somewhat selective α2-adrenoceptor agonist with sedative properties.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 28.68
Molecular weight 200.13
XLogP 3.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cccc(c1C)C(c1c[nH]cn1)C
Isomeric SMILES Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C
InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
InChI Key CUHVIMMYOGQXCV-NSHDSACASA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
α2A-adrenoceptor Primary target of this compound Hs Agonist Partial agonist 7.6 – 9.6 pKi - 1-4
pKi 7.6 – 9.6 [1-4]
α2B-adrenoceptor Primary target of this compound Hs Agonist Full agonist 7.5 – 9.7 pKi - 1-4
pKi 7.5 – 9.7 [1-4]
α2C-adrenoceptor Primary target of this compound Hs Agonist Full agonist 7.0 – 9.3 pKi - 1,3-4
pKi 7.0 – 9.3 [1,3-4]
Ligand mentioned in the following text fields