KEGG   DRUG: NimodipineHelp
Entry
D00438                      Drug                                   

Name
Nimodipine (USAN/INN);
Nimotop (TN);
Nymalize (TN)
Product
  Generic
Formula
C21H26N2O7
Exact mass
418.174
Mol weight
418.4403
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Cyp substrate
 DG01633  CYP3A substrate
Remark
Same as: 
ATC code: 
Activity
Antihypertensive, Vasodilator, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
MAPK signaling pathway
Calcium signaling pathway
Cardiac muscle contraction
Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
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
    C08CA Dihydropyridine derivatives
     C08CA06 Nimodipine
      D00438  Nimodipine (USAN/INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Calcium Channel Blocking Agents
   Nimodipine
    D00438  Nimodipine (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
     Nimodipine
      D00438  Nimodipine (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Nimodipine
    D00438  Nimodipine (USAN/INN)
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D00438
BRITE hierarchy
Other DBs
CAS: 
66085-59-4
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1y C    26.2694  -15.6084
            2   C8y C    26.2694  -17.0125
            3   C2y C    25.0525  -14.9064
            4   C2y C    27.4745  -14.9064
            5   C8x C    25.0525  -17.7086
            6   C8x C    27.4804  -17.7086
            7   C2y C    25.0525  -13.5141
            8   C7a C    23.8415  -15.6084
            9   C2y C    27.4745  -13.5141
            10  C7a C    28.6913  -15.6084
            11  C8y C    25.0525  -19.1127
            12  C8x C    27.4804  -19.1127
            13  N1x N    26.2694  -12.8120
            14  C1a C    23.8415  -12.8120
            15  O7a O    22.6305  -14.9064
            16  O6a O    23.8415  -17.0125
            17  C1a C    28.6913  -12.8120
            18  O7a O    29.9022  -14.9064
            19  O6a O    28.6913  -17.0066
            20  C8x C    26.2694  -19.8087
            21  N2b N    23.8475  -19.8147 #+
            22  C1b C    21.4195  -15.6084
            23  C1c C    31.1132  -15.6084
            24  O3a O    22.6305  -19.1127
            25  O3a O    23.8475  -21.2070 #-
            26  C1b C    20.2028  -14.9122
            27  C1a C    32.3242  -14.9064
            28  C1a C    31.0492  -17.0066
            29  O2a O    18.9918  -15.6142
            30  C1a C    17.7750  -14.9122
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   10  19 2
            19   11  20 1
            20   11  21 1
            21   15  22 1
            22   18  23 1
            23   21  24 2
            24   21  25 1
            25   22  26 1
            26   23  27 1
            27   23  28 1
            28   26  29 1
            29   29  30 1
            30    9  13 1
            31   12  20 2

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