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 search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C07267
ATC code: C08CA06
Product: D00438<US>
Efficacy
Antihypertensive, Vasodilator, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
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
    C08CA Dihydropyridine derivatives
     C08CA06 Nimodipine
      D00438  Nimodipine (USAN/INN) <US>
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 ion channels
   Calcium channels
    CACNA1-L
     D00438  Nimodipine (USAN/INN) <US>
BRITE hierarchy
Other DBs
CAS: 66085-59-4
PubChem: 7847504
ChEBI: 7575
ChEMBL: CHEMBL1428
DrugBank: DB00393
LigandBox: D00438
NIKKAJI: J19.052G
LinkDB All DBs
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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