KEGG   DRUG: Reproterol hydrochlorideHelp
Entry
D05718                      Drug                                   

Name
Reproterol hydrochloride (USAN)
Formula
C18H23N5O5. HCl
Exact mass
425.1466
Mol weight
425.8667
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Remark
ATC code: R03AC15 R03CC14
Chemical structure group: DG01054
Efficacy
Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AC Selective beta-2-adrenoreceptor agonists
     R03AC15 Reproterol
      D05718  Reproterol hydrochloride (USAN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC14 Reproterol
      D05718  Reproterol hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D05718  Reproterol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 13055-82-8
PubChem: 47207379
ChEMBL: CHEMBL2104771
LigandBox: D05718
NIKKAJI: J320.992J
KCF data Show

ATOM        29
            1   C8x C     6.0900  -15.9600
            2   C8y C     6.0900  -17.3600
            3   C8x C     7.3500  -18.0600
            4   C8y C     8.6100  -17.3600
            5   C8x C     8.6100  -15.9600
            6   C8y C     7.3500  -15.2600
            7   O1a O     7.3500  -13.8600
            8   O1a O     4.9000  -18.0600
            9   C1c C     9.8000  -18.0600
            10  C1b C    10.9900  -17.3600
            11  O1a O     9.8000  -19.4600
            12  N1b N    12.1800  -18.0600
            13  C1b C    13.3700  -17.3600
            14  C1b C    14.5600  -18.0600
            15  C1b C    15.8200  -17.3600
            16  N4y N    17.0100  -18.1300
            17  C8y C    18.2700  -17.5700
            18  C8y C    19.2500  -18.6200
            19  N5x N    18.4800  -19.8100
            20  C8x C    17.1500  -19.5300
            21  C8y C    18.7600  -16.2400
            22  N4y N    20.0900  -15.9600
            23  C8y C    21.0700  -17.0100
            24  N4y N    20.5800  -18.3400
            25  O5x O    17.8500  -15.1900
            26  C1a C    20.5800  -14.6300
            27  O5x O    22.4000  -16.7300
            28  C1a C    21.5600  -19.3900
            29  X   Cl   13.2300  -13.7200
BOND        30
            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     6   7 1
            8     2   8 1
            9     4   9 1
            10    9  10 1
            11    9  11 1
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   16  20 1
            22   17  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   18  24 1
            27   21  25 2
            28   22  26 1
            29   23  27 2
            30   24  28 1

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