KEGG   DRUG: MibefradilHelp
Entry
D08217                      Drug                                   

Name
Mibefradil (INN)
Formula
C29H38FN3O3
Exact mass
495.2897
Mol weight
495.6287
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Enzyme inhibitor
 DG01634  CYP1A2 inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A inhibitor
Remark
Same as: C07222
ATC code: C08CX01
Chemical structure group: DG00328
Efficacy
Vasodilator, Calcium channel blocker
Target
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551], CYP1A2 [HSA:1544], CYP2D6 [HSA:1565]
Drug interaction
Structure map
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CX Other selective calcium channel blockers with mainly vascular effects
     C08CX01 Mibefradil
      D08217  Mibefradil (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D08217  Mibefradil (INN)
    CACNA1-L
     D08217  Mibefradil (INN)
BRITE hierarchy
Other DBs
CAS: 116644-53-2
PubChem: 96024905
ChEBI: 6920
ChEMBL: CHEMBL45816
DrugBank: DB01388
LigandBox: D08217
NIKKAJI: J281.718G
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1z C    20.8600  -17.0800
            2   C1y C    19.7400  -17.7100
            3   C1x C    20.8600  -15.7500
            4   C1b C    22.1200  -17.9200
            5   O7a O    23.1700  -14.8400
            6   C8y C    18.5500  -17.0100
            7   C1c C    19.6700  -19.0400
            8   C1x C    19.8100  -15.0500
            9   C1b C    23.3100  -17.2900
            10  C7a C    24.3600  -15.5400
            11  C8y C    18.5500  -15.6800
            12  C8x C    17.4300  -17.6400
            13  C1a C    18.4800  -19.6700
            14  C1a C    20.7900  -19.8100
            15  N1c N    24.4300  -17.9900
            16  C1b C    25.5500  -14.8400
            17  O6a O    24.3600  -16.9400
            18  C8x C    17.5000  -14.9800
            19  C8x C    16.2400  -16.9400
            20  C1b C    25.6200  -17.3600
            21  C1a C    24.4300  -19.3900
            22  O2a O    26.7400  -15.5400
            23  C8y C    16.2400  -15.6100
            24  C1b C    26.7400  -18.1300
            25  C1a C    27.9300  -14.8400
            26  X   F    15.1200  -14.9100
            27  C1b C    27.9300  -17.4300
            28  C8y C    29.1200  -18.2000
            29  N4x N    29.1200  -19.5300
            30  N5x N    30.3800  -17.7100
            31  C8y C    30.5200  -19.8100
            32  C8y C    31.2200  -18.6900
            33  C8x C    31.1500  -21.0000
            34  C8x C    32.5500  -18.6900
            35  C8x C    32.4800  -21.0000
            36  C8x C    33.1800  -19.9500
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 2
            17   11  18 1
            18   12  19 2
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   18  23 2
            23   20  24 1
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 2
            35   34  36 2
            36    8  11 1
            37   19  23 1
            38   31  32 2
            39   35  36 1

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