KEGG   DRUG: PhenoxybenzamineHelp
Entry
D08358                      Drug                                   

Name
Phenoxybenzamine (INN)
Formula
C18H22ClNO
Exact mass
303.139
Mol weight
303.8264
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Remark
Same as: C07435
ATC code: C04AX02
Chemical structure group: DG00285
Product (DG00285): D00507<US>
Efficacy
Antihypertensive, Vasodilator (peripheric), alpha-Adrenergic receptor antagonist
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AX Other peripheral vasodilators
     C04AX02 Phenoxybenzamine
      D08358  Phenoxybenzamine (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Alpha-adrenergic Blocking Agents
   Phenoxybenzamine
    D08358  Phenoxybenzamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D08358  Phenoxybenzamine (INN)
    ADRA2
     D08358  Phenoxybenzamine (INN)
BRITE hierarchy
Other DBs
CAS: 59-96-1
PubChem: 96025045
ChEBI: 8077
ChEMBL: CHEMBL753
DrugBank: DB00925
LigandBox: D08358
NIKKAJI: J4.795C
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    19.7400  -19.1100
            2   C8x C    19.7400  -20.5100
            3   C8x C    20.9524  -21.2100
            4   C8y C    22.1649  -20.5100
            5   C8x C    22.1649  -19.1100
            6   C8x C    20.9524  -18.4100
            7   C1b C    23.3960  -21.2210
            8   N1c N    24.6012  -20.5253
            9   C1c C    25.7835  -21.2081
            10  C1b C    26.9775  -20.5188
            11  C1a C    25.7835  -22.6098
            12  C1b C    24.6016  -19.1104
            13  C1b C    25.7905  -18.4241
            14  X   Cl   25.7910  -17.0103
            15  O2a O    28.1654  -21.2048
            16  C8y C    29.3565  -20.5171
            17  C8x C    30.5459  -21.2039
            18  C8x C    31.7584  -20.5040
            19  C8x C    31.7585  -19.1040
            20  C8x C    30.5691  -18.4172
            21  C8x C    29.3566  -19.1171
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1
            12    8  12 1
            13   12  13 1
            14   13  14 1
            15   10  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1

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