KEGG   DRUG: VerapamilHelp
Entry
D02356                      Drug                                   

Name
Verapamil (USAN/INN)
Formula
C27H38N2O4
Exact mass
454.2832
Mol weight
454.6016
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01807  Phenylalkylamine derivative
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Enzyme substrate
 DG01633  CYP3A substrate
Transporter substrate
 DG01665  ABCB1(P-GP) substrate
Transporter inhibitor
 DG01622  ABCB1 (P-GP) inhibitor
Remark
Same as: C07188
ATC code: C08DA01
Chemical structure group: DG00329
Product (DG00329): D00619<JP/US>
Efficacy
Antiarrhythmic, Vasodilator, Calcium channel blocker
Comment
Phenylalkylamine derivative
Target
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
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
map07036  Calcium channel blocking drugs
map07037  Antiarrhythmic drugs
map07048  Antimigraines
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
    C08DA Phenylalkylamine derivatives
     C08DA01 Verapamil
      D02356  Verapamil (USAN/INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Calcium Channel Blocking Agents
   Verapamil
    D02356  Verapamil (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D02356  Verapamil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 52-53-9
PubChem: 7849415
ChEBI: 77733 9948
ChEMBL: CHEMBL6966
DrugBank: DB00661
LigandBox: D02356
NIKKAJI: J4.132G
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1d C    21.2293  -18.3108
            2   C8y C    20.0265  -19.0115
            3   C1b C    22.4436  -19.0056
            4   C1c C    21.2001  -16.9563
            5   C8x C    18.8122  -18.3108
            6   C8x C    20.0265  -20.4125
            7   C1b C    23.6580  -18.3049
            8   C1a C    22.4146  -16.2441
            9   C1a C    19.9916  -16.2557
            10  C8y C    17.5979  -19.0115
            11  C8x C    18.8122  -21.1190
            12  C1b C    24.8665  -18.9939
            13  C8y C    17.5979  -20.4125
            14  O2a O    16.3778  -18.3108
            15  N1c N    26.0808  -18.2991
            16  O2a O    16.3778  -21.1190
            17  C1a C    15.1634  -19.0115
            18  C1b C    27.2951  -18.9881
            19  C1a C    26.0808  -16.8455
            20  C1a C    15.1634  -20.4183
            21  C1b C    28.5094  -18.2932
            22  C8y C    29.7120  -18.9822
            23  C8x C    30.9265  -18.2815
            24  C8x C    29.6480  -20.3775
            25  C8y C    32.1351  -18.9764
            26  C8x C    30.9322  -21.0781
            27  C8y C    32.1409  -20.3716
            28  O2a O    33.3493  -18.2700
            29  O2a O    33.3610  -21.0722
            30  C1a C    34.5695  -18.9647
            31  C1a C    34.5752  -20.3658
            32  C3b C    21.2293  -19.7108
            33  N3a N    21.2293  -21.1108
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 2
            13   10  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 2
            25   24  26 1
            26   25  27 1
            27   25  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   11  13 1
            32   26  27 2
            33    1  32 1
            34   32  33 3

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