KEGG   DRUG: Procaterol hydrochloride
Entry
D02404                      Drug                                   

Name
Procaterol hydrochloride (USAN);
Pro-Air (TN)
Formula
C16H22N2O3. HCl
Exact mass
326.1397
Mol weight
326.8184
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Same as: C13235
ATC code: R03AC16 R03CC08
Chemical structure group: DG01055
Product (DG01055): D05366<JP>
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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07214  beta-Adrenergic receptor agonists/antagonists
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
     R03AC16 Procaterol
      D02404  Procaterol hydrochloride (USAN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC08 Procaterol
      D02404  Procaterol hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D02404  Procaterol hydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02404
Other DBs
CAS: 59828-07-8
PubChem: 7849462
ChEBI: 32056
ChEMBL: CHEMBL1322218
LigandBox: D02404
LinkDB
KCF data

ATOM        22
            1   X   Cl   28.2236  -18.2902
            2   C8y C    18.4797  -14.4198
            3   C8y C    18.4797  -15.8198
            4   C8y C    19.6920  -16.5197
            5   C8y C    20.9044  -15.8198
            6   C8x C    20.9044  -14.4198
            7   C8x C    19.6920  -13.7199
            8   N4x N    17.2673  -16.5197
            9   C8y C    17.2673  -17.9197
            10  C8x C    18.4797  -18.6196
            11  C8x C    19.6920  -17.9197
            12  C1c C    22.1419  -16.5197
            13  C1c C    23.3543  -15.8198
            14  N1b N    24.5666  -16.5197
            15  C1c C    25.7790  -15.8198
            16  C1a C    26.9914  -16.5197
            17  O1a O    22.1481  -17.9194
            18  C1b C    23.3543  -14.4200
            19  C1a C    25.7790  -14.4199
            20  C1a C    22.1420  -13.7201
            21  O1a O    17.2673  -13.7199
            22  O5x O    16.0719  -18.6100
BOND        22
            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     3   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 2
            11    4  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  17 1
            18   13  18 1
            19   15  19 1
            20   18  20 1
            21    2  21 1
            22    9  22 2

» Japanese version   » Back

KEGG   DRUG: Procaterol hydrochloride hydrate
Entry
D05366                      Drug                                   

Name
Procaterol hydrochloride hydrate (JP18);
Meptin (TN)
Formula
(C16H22N2O3)2. 2HCl. H2O
Exact mass
670.29
Mol weight
671.6521
Structure
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2259
ATC code: R03AC16 R03CC08
Chemical structure group: DG01055
Product (DG01055): D05366<JP>
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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07214  beta-Adrenergic receptor agonists/antagonists
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
     R03AC16 Procaterol
      D05366  Procaterol hydrochloride hydrate (JP18) <JP>
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC08 Procaterol
      D05366  Procaterol hydrochloride hydrate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2259  Others
     D05366  Procaterol hydrochloride hydrate (JP18)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D05366  Procaterol hydrochloride hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D05366  Procaterol hydrochloride hydrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05366
Other DBs
CAS: 81262-93-3
PubChem: 47207045
LigandBox: D05366
LinkDB
KCF data

ATOM        45
            1   X   Cl   41.1454  -16.1616
            2   C8y C    27.0814  -15.8115
            3   C8y C    27.0814  -17.2109
            4   C8y C    28.2709  -17.9106
            5   C8y C    29.5304  -17.2109
            6   C8x C    29.5304  -15.8115
            7   C8x C    28.2709  -15.1118
            8   N4x N    25.8919  -17.9106
            9   C8y C    25.8919  -19.3100
            10  C8x C    27.0814  -20.0097
            11  C8x C    28.2709  -19.3100
            12  C1c C    30.7199  -17.9106
            13  C1c C    31.9793  -17.2109
            14  N1b N    33.1688  -17.9106
            15  C1c C    34.3583  -17.2109
            16  C1a C    35.6178  -17.9106
            17  O1a O    30.7199  -19.3100
            18  C1b C    31.9793  -15.8115
            19  C1a C    34.3583  -15.8115
            20  C1a C    30.7199  -15.1118
            21  O1a O    25.8919  -15.1118
            22  O5x O    24.7024  -20.0097
            23  O0  O    41.4952  -18.6100
            24  X   Cl   41.1454  -16.1616
            25  C8y C    27.0814  -15.8115
            26  C8y C    27.0814  -17.2109
            27  C8y C    28.2709  -17.9106
            28  C8y C    29.5304  -17.2109
            29  C8x C    29.5304  -15.8115
            30  C8x C    28.2709  -15.1118
            31  C1c C    30.7199  -17.9106
            32  C1c C    31.9793  -17.2109
            33  N1b N    33.1688  -17.9106
            34  C1c C    34.3583  -17.2109
            35  C1a C    35.6178  -17.9106
            36  C1a C    34.3583  -15.8115
            37  C1b C    31.9793  -15.8115
            38  C1a C    30.7199  -15.1118
            39  O1a O    30.7199  -19.3100
            40  C8x C    28.2709  -19.3100
            41  C8x C    27.0814  -20.0097
            42  C8y C    25.8919  -19.3100
            43  N4x N    25.8919  -17.9106
            44  O5x O    24.7024  -20.0097
            45  O1a O    25.8919  -15.1118
BOND        44
            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     3   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 2
            11    4  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  17 1 #Up
            18   13  18 1 #Up
            19   15  19 1
            20   18  20 1
            21    2  21 1
            22    9  22 2
            23   25  26 2
            24   26  27 1
            25   27  28 2
            26   28  29 1
            27   29  30 2
            28   25  30 1
            29   26  43 1
            30   43  42 1
            31   42  41 1
            32   41  40 2
            33   27  40 1
            34   28  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   31  39 1 #Up
            40   32  37 1 #Up
            41   34  36 1
            42   37  38 1
            43   25  45 1
            44   42  44 2
BRACKET     1    39.4100  -17.0100   39.4100  -15.3300
            1    42.0700  -15.3300   42.0700  -17.0100
            1  2
 ORIGINAL  1    1
 REPEAT    1   24
            2    22.8200  -20.8600   22.8200  -13.5100
            2    37.8700  -13.5100   37.8700  -20.8600
            2  2
 ORIGINAL  2    2   3   4   5   6   7  12  13  14  15  16  19  18  20  17  11
            2   10   9   8  22  21
 REPEAT    2   25  26  27  28  29  30  31  32  33  34  35  36  37  38  39  40
            2   41  42  43  44  45

» Japanese version   » Back

KEGG   DRUG: Procaterol
Entry
D08424                      Drug                                   

Name
Procaterol (INN);
Meptin (TN)
Formula
C16H22N2O3
Exact mass
290.163
Mol weight
290.3575
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: R03AC16 R03CC08
Chemical structure group: DG01055
Product (DG01055): D05366<JP>
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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07214  beta-Adrenergic receptor agonists/antagonists
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
     R03AC16 Procaterol
      D08424  Procaterol (INN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC08 Procaterol
      D08424  Procaterol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D08424  Procaterol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08424
Other DBs
CAS: 72332-33-3
PubChem: 96025110
ChEMBL: CHEMBL160519
DrugBank: DB01366
LigandBox: D08424
NIKKAJI: J244.926I
LinkDB
KCF data

ATOM        21
            1   C8y C    20.5100  -16.1700
            2   C8y C    20.5100  -17.5700
            3   C8y C    21.7000  -18.2700
            4   C8y C    22.9600  -17.5700
            5   C8x C    22.9600  -16.1700
            6   C8x C    21.7000  -15.4700
            7   N4x N    19.3200  -18.2700
            8   C8y C    19.3200  -19.6700
            9   C8x C    20.5100  -20.3700
            10  C8x C    21.7000  -19.6700
            11  C1c C    24.1500  -18.2700
            12  C1c C    25.4100  -17.5700
            13  N1b N    26.6000  -18.2700
            14  C1c C    27.7900  -17.5700
            15  C1a C    29.0500  -18.2700
            16  O1a O    24.1500  -19.6700
            17  C1b C    25.4100  -16.1700
            18  C1a C    27.7900  -16.1700
            19  C1a C    24.1500  -15.4700
            20  O1a O    19.3200  -15.4700
            21  O5x O    18.1300  -20.3700
BOND        22
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    3  10 1
            12    4  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  16 1
            18   12  17 1
            19   14  18 1
            20   17  19 1
            21    1  20 1
            22    8  21 2

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