KEGG   DRUG: Phentolamine
Entry
D08362                      Drug                                   

Name
Phentolamine (INN)
Formula
C17H19N3O
Exact mass
281.1528
Mol weight
281.3523
Structure
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: C04AB01 V03AB36
Chemical structure group: DG00280
Product (DG00280): D00509<JP/US>
Efficacy
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
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Structure map
map07215  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
    ADRA1
     D08362  Phentolamine (INN)
    ADRA2
     D08362  Phentolamine (INN)
Other DBs
CAS: 50-60-2
PubChem: 96025048
ChEBI: 8081
ChEMBL: CHEMBL597
DrugBank: DB00692
LigandBox: D08362
NIKKAJI: J4.105J
LinkDB
KCF data

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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