KEGG   DRUG: Dexmedetomidine
Entry
D00514                      Drug                                   
Name
Dexmedetomidine (USAN/INN);
Dexdor (TN);
Precedex (TN)
Formula
C13H16N2
Exact mass
200.1313
Mol weight
200.2795
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01449  alpha2-Adrenergic receptor agonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01638  CYP2A6 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG02855  CYP2E1 substrate
Remark
Same as: C07450
ATC code: N05CM18
Chemical structure group: DG00926
Product (DG00926): D01205<JP/US>
Efficacy
Sedative-hypnotic, Tranquilizer, alpha2-Adrenergic receptor agonist
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP2A6 [HSA:1548]; CYP1A2 [HSA:1544], CYP2E1 [HSA:1571], CYP2D6 [HSA:1565], CYP2C19 [HSA:1557]
Interaction
Structure map
map07215  alpha-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CM Other hypnotics and sedatives
     N05CM18 Dexmedetomidine
      D00514  Dexmedetomidine (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG01449  alpha2-Adrenergic receptor agonist
     DG00926  Dexmedetomidine
      D00514  Dexmedetomidine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG01638  CYP2A6 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG01639  CYP2C19 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG01644  CYP2D6 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG02855  CYP2E1 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D00514  Dexmedetomidine (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00514
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00514
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG01449  alpha2-Adrenergic receptor agonist
     DG00926  Dexmedetomidine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00926  Dexmedetomidine
  DG01638  CYP2A6 substrate
   DG00926  Dexmedetomidine
  DG01639  CYP2C19 substrate
   DG00926  Dexmedetomidine
  DG01644  CYP2D6 substrate
   DG00926  Dexmedetomidine
  DG02855  CYP2E1 substrate
   DG00926  Dexmedetomidine
Other DBs
CAS: 113775-47-6
PubChem: 7847580
ChEBI: 4466
PDB-CCD: CZX[PDBj]
LigandBox: D00514
NIKKAJI: J263.999H
KCF data

ATOM        15
            1   C8y C    21.8688  -21.7213
            2   C1c C    23.0601  -20.9504
            3   C8y C    20.6775  -20.9504
            4   C8x C    21.8688  -23.0527
            5   C8y C    24.3214  -21.7213
            6   C1a C    23.0601  -19.5490
            7   C8y C    19.4162  -21.7213
            8   C1a C    20.6075  -19.5490
            9   C8x C    20.6775  -23.7534
            10  C8x C    24.3214  -23.1228
            11  N5x N    25.5828  -21.2307
            12  C8x C    19.4162  -23.1228
            13  C1a C    18.2249  -21.0205
            14  N4x N    25.6528  -23.4731
            15  C8x C    26.4236  -22.3519
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    7  12 2
            12    7  13 1
            13   10  14 1
            14   11  15 2
            15    9  12 1
            16   14  15 1

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