KEGG   DRUG: Tripelennamine
Entry
D08645                      Drug                                   

Name
Tripelennamine (INN)
Formula
C16H21N3
Exact mass
255.1735
Mol weight
255.358
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07180
ATC code: D04AA04 R06AC04
Chemical structure group: DG00383
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
CYP inhibition: CYP2D6 [HSA:1565]
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
     D04AA04 Tripelennamine
      D08645  Tripelennamine (INN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AC Substituted ethylene diamines
     R06AC04 Tripelennamine
      D08645  Tripelennamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08645  Tripelennamine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08645
Other DBs
CAS: 91-81-6
PubChem: 96025328
ChEBI: 9741
ChEMBL: CHEMBL1241
DrugBank: DB00792
LigandBox: D08645
NIKKAJI: J4.349D
LinkDB
KCF data

ATOM        19
            1   C8x C    19.3200  -16.9400
            2   C8x C    19.3200  -18.3400
            3   C8x C    20.5800  -19.0400
            4   C8x C    21.7700  -18.3400
            5   C8y C    21.7700  -16.9400
            6   C8x C    20.5800  -16.2400
            7   N5x N    22.9600  -19.0400
            8   C8y C    24.2200  -18.3400
            9   N1c N    24.2200  -16.9400
            10  C1b C    22.9600  -16.2400
            11  C8x C    22.9600  -20.4400
            12  C8x C    24.2200  -21.1400
            13  C8x C    25.4100  -20.4400
            14  C8x C    25.4100  -19.0400
            15  C1b C    25.4100  -16.2400
            16  C1b C    26.6000  -16.8700
            17  N1c N    27.7900  -16.2400
            18  C1a C    28.9800  -16.8700
            19  C1a C    27.7900  -14.7700
BOND        20
            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   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 1
            11    7  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    8  14 2
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1

» Japanese version   » Back

KEGG   DRUG: Tripelennamine hydrochloride
Entry
D02091                      Drug                                   

Name
Tripelennamine hydrochloride (USP);
PBZ-SR (TN)
Formula
C16H21N3. HCl
Exact mass
291.1502
Mol weight
291.819
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
ATC code: D04AA04 R06AC04
Chemical structure group: DG00383
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
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07028  Antipsychotics
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
     D04AA04 Tripelennamine
      D02091  Tripelennamine hydrochloride (USP)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AC Substituted ethylene diamines
     R06AC04 Tripelennamine
      D02091  Tripelennamine hydrochloride (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Tripelennamine
    D02091  Tripelennamine hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D02091  Tripelennamine hydrochloride (USP)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02091
Other DBs
CAS: 154-69-8
PubChem: 7849152
ChEMBL: CHEMBL1200446
DrugBank: DB00792
LigandBox: D02091
NIKKAJI: J243.968I
LinkDB
KCF data

ATOM        20
            1   C8x C    20.1082  -16.9077
            2   C8x C    20.1082  -18.3122
            3   C8x C    21.3245  -19.0145
            4   C8x C    22.5409  -18.3122
            5   C8y C    22.5409  -16.9077
            6   C8x C    21.3245  -16.2055
            7   N5x N    23.7572  -19.0145
            8   C8y C    24.9735  -18.3122
            9   N1c N    24.9735  -16.9077
            10  C1b C    23.7572  -16.2055
            11  C8x C    23.7572  -20.4190
            12  C8x C    24.9735  -21.1212
            13  C8x C    26.1899  -20.4190
            14  C8x C    26.1899  -19.0145
            15  C1b C    26.1749  -16.2140
            16  C1b C    27.3670  -16.9022
            17  N1c N    28.5616  -16.2124
            18  C1a C    29.7551  -16.9014
            19  C1a C    28.5616  -14.8012
            20  X   Cl   30.0300  -19.6700
BOND        20
            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   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 1
            11    7  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    8  14 2
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1

» Japanese version   » Back

KEGG   DRUG: Tripelennamine citrate
Entry
D06246                      Drug                                   

Name
Tripelennamine citrate;
PBZ (TN)
Formula
C16H21N3. C6H8O7
Exact mass
447.2006
Mol weight
447.4816
Structure
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
ATC code: D04AA04 R06AC04
Chemical structure group: DG00383
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
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07028  Antipsychotics
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
     D04AA04 Tripelennamine
      D06246  Tripelennamine citrate
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AC Substituted ethylene diamines
     R06AC04 Tripelennamine
      D06246  Tripelennamine citrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D06246  Tripelennamine citrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06246
Other DBs
CAS: 6138-56-3
PubChem: 47207904
ChEMBL: CHEMBL1200769
DrugBank: DB00792
LigandBox: D06246
NIKKAJI: J231.517C
LinkDB
KCF data

ATOM        32
            1   C8x C     2.8182   -7.5277
            2   C8x C     2.8182   -8.9322
            3   C8x C     4.0345   -9.6345
            4   C8x C     5.2509   -8.9322
            5   C8y C     5.2509   -7.5277
            6   C8x C     4.0345   -6.8255
            7   N5x N     6.4672   -9.6345
            8   C8y C     7.6835   -8.9322
            9   N1c N     7.6835   -7.5277
            10  C1b C     6.4672   -6.8255
            11  C8x C     6.4672  -11.0390
            12  C8x C     7.6835  -11.7412
            13  C8x C     8.8999  -11.0390
            14  C8x C     8.8999   -9.6345
            15  C1b C     8.8849   -6.8340
            16  C1b C    10.0770   -7.5222
            17  N1c N    11.2716   -6.8324
            18  C1a C    12.4651   -7.5214
            19  C1a C    11.2716   -5.4212
            20  C1d C    18.7665   -8.6445
            21  C1b C    17.5553   -9.3408
            22  C1b C    19.9778   -9.3348
            23  C6a C    19.4570   -7.4273
            24  O1a O    18.0584   -7.4273
            25  C6a C    16.3498   -8.6503
            26  C6a C    19.9661  -10.7335
            27  O6a O    18.7489   -6.2103
            28  O6a O    20.8614   -7.4273
            29  O6a O    15.1387   -9.3525
            30  O6a O    16.4081   -7.2519
            31  O6a O    21.1774  -11.4356
            32  O6a O    18.7489  -11.4297
BOND        32
            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   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 1
            11    7  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    8  14 2
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   20  21 1
            22   20  22 1
            23   20  23 1
            24   20  24 1
            25   21  25 1
            26   22  26 1
            27   23  27 1
            28   23  28 2
            29   25  29 1
            30   25  30 2
            31   26  31 1
            32   26  32 2

» Japanese version   » Back

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