KEGG   COMPOUND: C07188Help
Entry
C07188                      Compound                               

Name
Verapamil
Formula
C27H38N2O4
Exact mass
454.2832
Mol weight
454.6016
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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 cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel L type
     Verapamil
      D02356  Verapamil (USAN/INN)
   K+ channel, KCNA, Kv1.x (Shaker)
    voltage-gated potassium channel (KCNA3)
     Verapamil
      D02356  Verapamil (USAN/INN)
    voltage-gated potassium channel (KCNA7)
     Verapamil
      D02356  Verapamil (USAN/INN)
    voltage-gated potassium channel (KCNA10)
     Verapamil
      D02356  Verapamil (USAN/INN)
   K+ channel, KCNC, Kv3.x (Shaw)
    voltage-gated potassium channel (KCNC2)
     Verapamil
      D02356  Verapamil (USAN/INN)
  Related to voltage-gated cation channels
   Inward rectifier channel (Kir)
    potassium inwardly-rectifying channel (KCNJ6)
     Verapamil
      D02356  Verapamil (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP1A2
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP2D6
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP3A4
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP3A5
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP3A7
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP3A
   Verapamil
    D02356  Verapamil (USAN/INN)
 CYP substrates
  CYP1A2
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP3A4
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP3A5
   Verapamil
    D02356  Verapamil (USAN/INN)
  CYP3A7
   Verapamil
    D02356  Verapamil (USAN/INN)
 Transporter inhibitors
  ABCB1
   Verapamil
    D02356  Verapamil (USAN/INN)
  ABCB4
   Verapamil
    D02356  Verapamil (USAN/INN)
  SLC22A3
   Verapamil
    D02356  Verapamil (USAN/INN)
 Transporter substrates
  ABCB1
   Verapamil
    D02356  Verapamil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
52-53-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C1d C    21.2610  -18.3478
            2   C8y C    20.0604  -19.0472
            3   C1b C    22.4731  -19.0413
            4   C1c C    21.3019  -16.9957
            5   C8x C    18.8483  -18.3478
            6   C8x C    20.0604  -20.4457
            7   C1b C    23.6853  -18.3419
            8   C1a C    22.5142  -16.2848
            9   C1a C    20.0955  -16.2964
            10  C8y C    17.6362  -19.0472
            11  C8x C    18.8483  -21.1509
            12  C1b C    24.8917  -19.0296
            13  C8y C    17.6362  -20.4457
            14  O2a O    16.4183  -18.3478
            15  N1c N    26.1038  -18.3361
            16  O2a O    16.4183  -21.1509
            17  C1a C    15.2061  -19.0472
            18  C1b C    27.3159  -19.0239
            19  C1a C    26.1038  -16.8851
            20  C1a C    15.2061  -20.4515
            21  C1b C    28.5280  -18.3302
            22  C8y C    29.7284  -19.0180
            23  C8x C    30.9407  -18.3185
            24  C8x C    29.7345  -20.4107
            25  C8y C    32.1471  -19.0122
            26  C8x C    30.9464  -21.1101
            27  C8y C    32.1529  -20.4049
            28  O2a O    33.3592  -18.3070
            29  O2a O    33.3708  -21.1042
            30  C1a C    34.5772  -19.0005
            31  C1a C    34.5828  -20.3991
            32  C3b C    21.2610  -19.7452
            33  N3a N    21.2610  -21.1427
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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