Compound Detail
CHEMBL778
DEXMEDETOMIDINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL778 |
| Name | DEXMEDETOMIDINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | CUHVIMMYOGQXCV-NSHDSACASA-N |
| Therapeutic | ✓ Yes |
11
Targets
24
Activities
2
Assay Types
6
PK Parameters
20
Publications
4
Known Names
20
Indications
Molecular Properties
200.3
MW (Da)
3.18
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1999 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Anxiety Brain Diseases Brain Injuries Breast Neoplasms Cleft Palate Colorectal Neoplasms Delirium Fractures, Bone Headache Heart Septal Defects, Atrial Hypertension Inflammation Lung Diseases Neoplasms Obesity Obesity, Morbid Opioid-Related Disorders Pain Pharyngitis Postoperative Nausea and Vomiting
ATC Classification
N05CM18
dexmedetomidine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
EC50 13 meas. best 9.32
Ki 11 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 10.82 | 10.82 | 0.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 10.82 | 8.365 | 0.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL327 | Ki | 10.82 | 9.98 | 0.0 | 3 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 9.32 | 8.3767 | 0.5 | 3 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 9.1 | 8.742 | 0.8 | 5 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 8.72 | 8.6 | 1.9 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 7.88 | 7.88 | 13.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.51 | 7.51 | 30.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3988626 | EC50 | 6.44 | 6.44 | 364.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | EC50 | 6.42 | 6.42 | 376.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.88 | 5.88 | 1318.3 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.04 | 5.04 | 9120.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 8.89 | mL.min-1.g-1 | Mus musculus |
| Fu | 0.06 | - | Homo sapiens |
| MRT | 2.5 | hr | Homo sapiens |
| T1/2 | 2.2 | hr | Homo sapiens |
| T1/2 | 2.598 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine