KEGG   DRUG: Mepyramine
Entry
D08183                      Drug                                   

Name
Mepyramine (INN)
Formula
C17H23N3O
Exact mass
285.1841
Mol weight
285.384
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C11798
ATC code: D04AA02 R06AC01
Chemical structure group: DG00382
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Phenbenzamine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA02 Mepyramine
      D08183  Mepyramine (INN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AC Substituted ethylene diamines
     R06AC01 Mepyramine
      D08183  Mepyramine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08183  Mepyramine (INN)
Other DBs
CAS: 91-84-9
PubChem: 96024873
ChEBI: 6762
ChEMBL: CHEMBL511
LigandBox: D08183
NIKKAJI: J4.645K
LinkDB
KCF data

ATOM        21
            1   C8x C    20.5100  -16.8700
            2   C8y C    20.5100  -18.2700
            3   C8x C    21.7700  -18.9700
            4   C8x C    22.9600  -18.2700
            5   C8y C    22.9600  -16.8700
            6   C8x C    21.7700  -16.1700
            7   O2a O    19.3200  -18.9700
            8   C1a C    18.1300  -18.2700
            9   C1b C    24.2200  -16.1700
            10  N1c N    25.4100  -16.8700
            11  C1b C    26.6000  -16.1700
            12  C1b C    27.7900  -16.8700
            13  C8y C    25.4100  -18.2700
            14  N5x N    24.1500  -19.0400
            15  C8x C    24.1500  -20.4400
            16  C8x C    25.4100  -21.1400
            17  C8x C    26.6000  -20.3700
            18  C8x C    26.6000  -18.9700
            19  N1c N    28.9800  -16.1700
            20  C1a C    30.1700  -16.8700
            21  C1a C    28.9800  -14.7700
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     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   12  19 1
            21   19  20 1
            22   19  21 1

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KEGG   DRUG: Pyrilamine maleate
Entry
D05660                      Drug                                   

Name
Pyrilamine maleate (USP);
Pymafed (TN)
Formula
C17H23N3O. C4H4O4
Exact mass
401.1951
Mol weight
401.4562
Structure
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: D04AA02 R06AC01
Chemical structure group: DG00382
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Pyrilamine is called Mepyramine in INN.
Phenbenzamine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA02 Mepyramine
      D05660  Pyrilamine maleate (USP)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AC Substituted ethylene diamines
     R06AC01 Mepyramine
      D05660  Pyrilamine maleate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D05660  Pyrilamine maleate (USP)
Other DBs
CAS: 59-33-6
PubChem: 47207321
ChEMBL: CHEMBL1201006
LigandBox: D05660
NIKKAJI: J388.812F
LinkDB
KCF data

ATOM        29
            1   C8x C     4.1570   -4.4301
            2   C8y C     4.1570   -5.8320
            3   C8x C     5.3709   -6.5329
            4   C8x C     6.5851   -5.8320
            5   C8y C     6.5851   -4.4301
            6   C8x C     5.3709   -3.7292
            7   O2a O     2.9430   -6.5329
            8   C1a C     1.7459   -5.8416
            9   C1b C     7.8177   -3.7182
            10  N1c N     9.0246   -4.4148
            11  C1b C    10.2084   -3.7311
            12  C1b C    11.4040   -4.4213
            13  C8y C     9.0250   -5.8316
            14  N5x N     7.7875   -6.5469
            15  C8x C     7.7882   -7.9488
            16  C8x C     9.0026   -8.6490
            17  C8x C    10.2401   -7.9337
            18  C8x C    10.2393   -6.5318
            19  N1c N    12.5934   -3.7344
            20  C1a C    13.7861   -4.4230
            21  C1a C    12.5935   -2.3276
            22  C6a C    21.0885   -6.1462
            23  C2b C    20.4134   -4.9815
            24  O6a O    20.4889   -7.3864
            25  O6a O    22.4391   -6.1399
            26  C2b C    18.7965   -4.9877
            27  C6a C    18.1275   -6.1585
            28  O6a O    16.7769   -6.1585
            29  O6a O    18.8090   -7.3925
BOND        29
            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     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   12  19 1
            21   19  20 1
            22   19  21 1
            23   22  23 1
            24   22  24 1
            25   22  25 2
            26   23  26 2
            27   26  27 1
            28   27  28 1
            29   27  29 2

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KEGG   DRUG: Mepyramine theophyllineacetate
Entry
D08184                      Drug                                   

Name
Mepyramine theophyllineacetate;
Mepifiline;
Fluidasa (TN)
Formula
C17H23N3O. C9H10N4O4
Exact mass
523.2543
Mol weight
523.5841
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: D04AA02 R03DA12 R06AC01
Chemical structure group: DG00382
Efficacy
Antiallergic
Comment
Phenbenzamine derivative
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA02 Mepyramine
      D08184  Mepyramine theophyllineacetate
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
    R03DA Xanthines
     R03DA12 Mepyramine theophyllinacetate
      D08184  Mepyramine theophyllineacetate
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AC Substituted ethylene diamines
     R06AC01 Mepyramine
      D08184  Mepyramine theophyllineacetate
Other DBs
CAS: 57383-74-1
PubChem: 96024874
LigandBox: D08184
NIKKAJI: J350.078K
LinkDB
KCF data

ATOM        38
            1   C8x C    15.0500  -16.8700
            2   C8y C    15.0500  -18.2700
            3   C8x C    16.3100  -18.9700
            4   C8x C    17.5000  -18.2700
            5   C8y C    17.5000  -16.8700
            6   C8x C    16.3100  -16.2400
            7   O2a O    13.8600  -18.9700
            8   C1a C    12.6700  -18.2700
            9   C1b C    18.8300  -16.2400
            10  N1c N    20.0200  -16.8700
            11  C1b C    21.2100  -16.2400
            12  C1b C    22.4000  -16.8700
            13  C8y C    20.0200  -18.2700
            14  N5x N    18.7600  -19.0400
            15  C8x C    18.7600  -20.4400
            16  C8x C    20.0200  -21.1400
            17  C8x C    21.2100  -20.3700
            18  C8x C    21.2100  -18.9700
            19  N1c N    23.5900  -16.2400
            20  C1a C    24.7800  -16.8700
            21  C1a C    23.5900  -14.7700
            22  C8y C    34.5100  -19.5300
            23  N4y N    34.5100  -18.1300
            24  C8y C    33.3200  -17.4300
            25  C8y C    32.0600  -18.1300
            26  C8y C    32.0600  -19.5300
            27  N4y N    33.3200  -20.2300
            28  N4y N    30.7300  -17.7100
            29  C8x C    29.9600  -18.8300
            30  N5x N    30.7300  -19.9500
            31  O5x O    35.7000  -20.2300
            32  O5x O    33.3200  -16.0300
            33  C1a C    35.7000  -17.4300
            34  C1a C    33.3200  -21.6300
            35  C1b C    30.7300  -16.3100
            36  C6a C    29.5400  -15.6100
            37  O6a O    28.3500  -16.3100
            38  O6a O    29.5400  -14.2100
BOND        40
            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     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   12  19 1
            21   19  20 1
            22   19  21 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   22  27 1
            29   25  28 1
            30   28  29 1
            31   29  30 2
            32   26  30 1
            33   22  31 2
            34   24  32 2
            35   23  33 1
            36   27  34 1
            37   28  35 1
            38   35  36 1
            39   36  37 1
            40   36  38 2

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