KEGG   DRUG: PhentolamineHelp
Entry
D08362                      Drug                                   

Name
Phentolamine (INN)
Formula
C17H19N3O
Exact mass
281.1528
Mol weight
281.3523
Structure
Mol fileKCF fileDB searchJmolKegDraw
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
ATC code: 
Chemical group: 
Activity
Vasodilator, alpha-Adrenergic receptor antagonist
Comment
Imidazoline derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137];
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Structure map
alpha-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AB Imidazoline derivatives
     C04AB01 Phentolamine
      D08362  Phentolamine (INN)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB36 Phentolamine
      D08362  Phentolamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Phentolamine
      D08362  Phentolamine (INN)
    alpha2-adrenergic receptor
     Phentolamine
      D08362  Phentolamine (INN)
BRITE hierarchy
Other DBs
CAS: 
50-60-2
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   N1c N    24.1500  -18.4800
            2   C8y C    25.4100  -19.1800
            3   C8y C    22.9600  -19.1800
            4   C1b C    24.1500  -17.0800
            5   C8x C    26.6000  -18.4800
            6   C8x C    25.4100  -20.5800
            7   C8x C    22.9600  -20.5800
            8   C8x C    21.7700  -18.4800
            9   C2y C    25.4100  -16.3800
            10  C8y C    27.7900  -19.1800
            11  C8x C    26.6000  -21.2800
            12  C8x C    21.7700  -21.2800
            13  C8x C    20.5100  -19.1800
            14  N1x N    26.7400  -16.8000
            15  N2x N    25.4100  -14.9800
            16  C8x C    27.7900  -20.5800
            17  O1a O    29.0500  -18.4800
            18  C8y C    20.5100  -20.5800
            19  C1x C    27.5800  -15.7500
            20  C1x C    26.8100  -14.5600
            21  C1a C    19.3200  -21.2800
BOND        23
            1     2   5 1
            2     2   6 2
            3     3   7 1
            4     3   8 2
            5     4   9 1
            6     5  10 2
            7     6  11 1
            8     7  12 2
            9     8  13 1
            10    9  14 1
            11    9  15 2
            12   10  16 1
            13   10  17 1
            14   12  18 1
            15   14  19 1
            16   15  20 1
            17   18  21 1
            18   11  16 2
            19   13  18 2
            20   19  20 1
            21    1   2 1
            22    1   3 1
            23    1   4 1

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