KEGG   DRUG: D00549Help
Entry
D00549                      Drug                                   
Name
Propofol (JAN/USAN/INN);
Diprivan (TN)
Product
  Generic
  Other
Formula
C12H18O
Exact mass
178.1358
Mol weight
178.2707
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anesthetic [intravenous]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Comment
Isopropylphenol derivatives
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse  
 
Interaction
Drug interaction
Structure map
GABA-A receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   111  General anesthetics
    1119  Others
     D00549  Propofol (JAN/USAN/INN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX10 Propofol
      D00549  Propofol (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05176 K05177 K05178 K05179 K05180 K05181 K05182 K05183 K05184 K05185 K05186 K05187 K05188 K05189 K05192]
     Propofol [ATC:N01AX10]
      D00549  Propofol (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
2078-54-8
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C8y C    24.1226  -18.3979
            2   C8y C    25.3400  -17.6989
            3   C1c C    22.9112  -17.6989
            4   C8x C    24.1226  -19.7958
            5   C8y C    26.5514  -18.3979
            6   O1a O    25.3457  -16.3010
            7   C1a C    22.9112  -16.3010
            8   C1a C    21.6996  -18.3979
            9   C8x C    25.3400  -20.5005
            10  C1c C    27.7688  -17.6989
            11  C8x C    26.5514  -19.7958
            12  C1a C    28.9804  -18.3979
            13  C1a C    27.7688  -16.3010
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11   10  12 1
            12   10  13 1
            13    9  11 2

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