KEGG   DRUG: Phenylpropanolamine hydrochlorideHelp
Entry
D01224                      Drug                                   

Name
Phenylpropanolamine hydrochloride (JAN/USP)
Formula
C9H13NO. HCl
Exact mass
187.0764
Mol weight
187.6666
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
   DG01449  alpha2-Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
Remark
ATC code: R01BA01
Chemical structure group: DG01041
Efficacy
Vasoconstrictor, Adrenergic receptor agonist
Comment
Relative configuration (racemic mixture)
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Interaction
CYP inhibition: CYP1A2 [HSA:1544]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01B NASAL DECONGESTANTS FOR SYSTEMIC USE
    R01BA Sympathomimetics
     R01BA01 Phenylpropanolamine
      D01224  Phenylpropanolamine hydrochloride (JAN/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D01224  Phenylpropanolamine hydrochloride (JAN/USP)
    ADRA2
     D01224  Phenylpropanolamine hydrochloride (JAN/USP)
    ADRB
     D01224  Phenylpropanolamine hydrochloride (JAN/USP)
Rx-to-OTC switch list in the USA [br08315.html]
 D01224
BRITE hierarchy
Other DBs
CAS: 154-41-6
PubChem: 7848287
ChEBI: 31996
DrugBank: DB00397
LigandBox: D01224
NIKKAJI: J358.575A
KCF data Show

ATOM        12
            1   X   Cl   23.3842  -16.3448
            2   C8x C    13.8836  -16.2191
            3   C8x C    13.8836  -17.6084
            4   C8x C    15.1340  -18.3031
            5   C8x C    16.3150  -17.6084
            6   C8y C    16.3150  -16.2191
            7   C8x C    15.1340  -15.5244
            8   C1c C    17.5654  -15.4549
            9   C1c C    18.7464  -16.1496
            10  O1a O    17.5654  -14.0655
            11  N1a N    19.9273  -15.5244
            12  C1a C    18.7464  -17.6084
BOND        11
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     8   6 1
            8     8   9 1
            9     8  10 1 #Up
            10    9  11 1
            11    9  12 1 #Up

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