Terfenadine


Entry
D00521                      Drug                                   
Name
Terfenadine (JAN/USAN/INN);
Seldane (TN)
Formula
C32H41NO2
Exact mass
471.3137
Mol weight
471.6734
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Same as: C07463
ATC code: R06AX12
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
KCNH2 [HSA:3757] [KO:K04905]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
map07232  Potassium channel blocking and opening drugs
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AX Other antihistamines for systemic use
     R06AX12 Terfenadine
      D00521  Terfenadine (JAN/USAN/INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    D00521  Terfenadine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D00521  Terfenadine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00521  Terfenadine (JAN/USAN/INN)
 Ion channels
  Voltage-gated ion channels
   Potassium channels
    KCNH2
     D00521  Terfenadine (JAN/USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00521
Other DBs
CAS: 50679-08-8
PubChem: 7847587
ChEBI: 9453
LigandBox: D00521
NIKKAJI: J9.749G
KCF data

ATOM        35
            1   C8x C     8.2600  -16.8700
            2   C8x C     8.2600  -18.2700
            3   C8x C     9.4724  -18.9700
            4   C8x C    10.6849  -18.2700
            5   C8y C    10.6849  -16.8700
            6   C8x C     9.4724  -16.1700
            7   C8x C    13.1097  -18.2700
            8   C8y C    13.1097  -16.8700
            9   C1d C    11.8973  -16.1700
            10  C8x C    14.3222  -18.9700
            11  C8x C    15.5346  -18.2700
            12  C8x C    15.5346  -16.8700
            13  C8x C    14.3222  -16.1700
            14  C1y C    11.8973  -14.7700
            15  C1x C    13.1118  -14.0688
            16  C1x C    13.1118  -12.6688
            17  N1y N    11.8993  -11.9688
            18  C1x C    10.6849  -12.6700
            19  C1x C    10.6849  -14.0700
            20  O1a O    10.6849  -15.4700
            21  C1b C    11.8993  -10.5700
            22  C1b C    13.1123   -9.8697
            23  C1b C    14.3080  -10.5602
            24  C1c C    15.4952   -9.8749
            25  C8y C    16.6865  -10.5629
            26  O1a O    15.4954   -8.4702
            27  C8x C    16.6865  -11.9697
            28  C8x C    17.8989  -12.6698
            29  C8y C    19.1113  -11.9698
            30  C8x C    19.1114  -10.5630
            31  C8x C    17.8990   -9.8629
            32  C1d C    20.3228  -12.6693
            33  C1a C    21.5352  -13.3693
            34  C1a C    19.6170  -13.8921
            35  C1a C    21.0166  -11.4673
BOND        38
            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     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22    9  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 1
            29   25  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   25  31 1
            35   29  32 1
            36   32  33 1
            37   32  34 1
            38   32  35 1