KEGG   DRUG: Mibefradil dihydrochlorideHelp
Entry
D05024                      Drug                                   

Name
Mibefradil dihydrochloride (USAN);
Posicor (TN)
Formula
C29H38FN3O3. 2HCl
Exact mass
567.2431
Mol weight
568.5506
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A inhibitor
Remark
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
      D05024  Mibefradil dihydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D05024  Mibefradil dihydrochloride (USAN)
    CACNA1-L
     D05024  Mibefradil dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 116666-63-8
PubChem: 47206751
ChEMBL: CHEMBL1534525
LigandBox: D05024
NIKKAJI: J282.960F
LinkDB All DBs
KCF data Show

ATOM        38
            1   C1z C    21.7941  -16.1905
            2   C1y C    20.6239  -16.8076
            3   C1x C    21.7767  -14.8515
            4   C1b C    23.0342  -17.0230
            5   O7a O    24.0997  -13.9607
            6   C8y C    19.4770  -16.1089
            7   C1c C    20.5716  -18.1526
            8   C1x C    20.7114  -14.1354
            9   C1b C    24.2220  -16.3886
            10  C7a C    25.2989  -14.6476
            11  C8y C    19.4596  -14.7758
            12  C8x C    18.3068  -16.7436
            13  C1a C    19.3781  -18.7929
            14  C1a C    21.7068  -18.8744
            15  N1c N    25.3572  -17.1046
            16  C1b C    26.4808  -13.9607
            17  O6a O    25.2989  -16.0216
            18  C8x C    18.3826  -14.0539
            19  C8x C    17.1600  -16.0449
            20  C1b C    26.5508  -16.4641
            21  C1a C    25.3222  -18.4495
            22  O2a O    27.6685  -14.6476
            23  C8y C    17.1308  -14.7002
            24  C1b C    27.6802  -17.1919
            25  C1a C    28.8621  -13.9607
            26  X   F    16.0480  -13.9899
            27  C1b C    28.8736  -16.5514
            28  C8y C    30.0089  -17.2675
            29  N4x N    30.0436  -18.6182
            30  N5x N    31.2780  -16.7727
            31  C8y C    31.4177  -18.9327
            32  C8y C    32.1397  -17.7857
            33  C8x C    32.0467  -20.1087
            34  C8x C    33.4730  -17.7682
            35  C8x C    33.3857  -20.0910
            36  C8x C    34.1017  -19.0374
            37  X   Cl   35.2100  -15.4700
            38  X   Cl   35.2100  -15.4700
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
BRACKET     1    33.5300  -16.5200   33.5300  -14.4900
            1    36.0500  -14.4900   36.0500  -16.5200
            1  2
 ORIGINAL  1   37
 REPEAT    1   38

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