KEGG   DRUG: PhenylpropanolamineHelp
Entry
D08368                      Drug                                   

Name
Phenylpropanolamine (INN);
Fansia (TN)
Formula
C9H13NO
Exact mass
151.0997
Mol weight
151.2056
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Enzyme inhibitor
 DG01634  CYP1A2 inhibitor
Remark
Same as: C07911
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
      D08368  Phenylpropanolamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D08368  Phenylpropanolamine (INN)
    ADRA2
     D08368  Phenylpropanolamine (INN)
    ADRB
     D08368  Phenylpropanolamine (INN)
BRITE hierarchy
Other DBs
CAS: 14838-15-4
PubChem: 96025054
ChEBI: 8104
ChEMBL: CHEMBL136560 CHEMBL1574804
DrugBank: DB00397
LigandBox: D08368
NIKKAJI: J252.830D
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8x C    15.6269  -16.2060
            2   C8x C    15.6269  -17.6076
            3   C8x C    16.8407  -18.3084
            4   C8x C    18.0546  -17.6076
            5   C8y C    18.0546  -16.2060
            6   C8x C    16.8407  -15.5052
            7   C1c C    19.2871  -15.4941
            8   C1c C    20.4937  -16.1906
            9   O1a O    19.2868  -14.1037
            10  N1a N    21.6773  -15.5071
            11  C1a C    20.4941  -17.6072
BOND        11
            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     7   5 1
            8     7   8 1
            9     7   9 1 #Up
            10    8  10 1
            11    8  11 1 #Up

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