DEXMEDETOMIDINE

Search structure
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05CM18
UNII: 67VB76HONO

Structure
InChI Key CUHVIMMYOGQXCV-NSHDSACASA-N
Smile Cc1cccc([C@H](C)c2c[nH]cn2)c1C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16N2
Molecular Weight 200.28
AlogP 3.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 28.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Primary Target
α2A-adrenoceptor
α2B-adrenoceptor
α2C-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
2-2 - - 0-5 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anxiety 3 D001007 ClinicalTrials
Postoperative Nausea and Vomiting 3 D020250 ClinicalTrials
Sleep Apnea, Obstructive 3 D020181 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Subarachnoid Hemorrhage 3 D013345 ClinicalTrials
Obesity 3 D009765 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Cleft Palate 3 D002972 ClinicalTrials
Fractures, Bone 3 D050723 ClinicalTrials
Opioid-Related Disorders 3 D009293 ClinicalTrials
Brain Diseases 3 D001927 ClinicalTrials
Headache 3 D006261 ClinicalTrials
Heart Septal Defects, Atrial 3 D006344 ClinicalTrials
Delirium 3 D003693 ClinicalTrials
Respiratory Insufficiency 3 D012131 ClinicalTrials
Tremor 3 D014202 ClinicalTrials
Digestive System Diseases 3 D004066 ClinicalTrials
Psychomotor Agitation 3 D011595 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Inflammation 3 D007249 ClinicalTrials
Obesity, Morbid 3 D009767 ClinicalTrials
Rib Fractures 3 D012253 ClinicalTrials
Respiratory Insufficiency 3 D012131 ClinicalTrials
Pharyngitis 3 D010612 ClinicalTrials
Temporomandibular Joint Disorders 2 D013705 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials
Mental Disorders 2 D001523 ClinicalTrials
Pheochromocytoma 2 D010673 ClinicalTrials
Burns 2 D002056 ClinicalTrials
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials
Acute Kidney Injury 2 D058186 ClinicalTrials
Brain Neoplasms 2 D001932 ClinicalTrials
Hypertrophy 2 D006984 ClinicalTrials
Pre-Eclampsia 2 D011225 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Hypertension, Pulmonary 2 D006976 ClinicalTrials
Shoulder Pain 2 D020069 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Postoperative Complications 1 D011183 ClinicalTrials
Cough 1 D003371 ClinicalTrials
Heart Diseases 1 D006331 ClinicalTrials
Chronic Pain 1 D059350 ClinicalTrials
Cognitive Dysfunction 1 D060825 ClinicalTrials
Brain Injuries 1 D001930 ClinicalTrials
Scoliosis 1 D012600 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials
Pregnancy 1 D011247 ClinicalTrials
Sleep Initiation and Maintenance Disorders 1 D007319 ClinicalTrials
Epilepsy 1 D004827 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials
Brain Ischemia 0 D002545 ClinicalTrials
Renal Insufficiency 0 D051437 ClinicalTrials
Vascular Diseases 0 D014652 ClinicalTrials
Radius Fractures 0 D011885 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 113775-47-6
ChEBI 4466
ChEMBL CHEMBL778
DrugBank DB00633
DrugCentral 835
EPA CompTox DTXSID10873388
FDA SRS 67VB76HONO
Human Metabolome Database HMDB0014771
Guide to Pharmacology 521
KEGG C07450
PDB CZX
PubChem 5311068
SureChEMBL SCHEMBL26433
ZINC ZINC000004632106
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