KEGG   DRUG: Perhexiline maleateHelp
Entry
D05442                      Drug                                   

Name
Perhexiline maleate (USAN)
Formula
C19H35N. C4H4O4
Exact mass
393.2879
Mol weight
393.5601
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Cyp substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: C08EX02
Chemical structure group: DG00334
Efficacy
Vasodilator (coronary), Calcium channel blocker
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08E NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
    C08EX Other non-selective calcium channel blockers
     C08EX02 Perhexiline
      D05442  Perhexiline maleate (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D05442  Perhexiline maleate (USAN)
 Enzymes
  Transferases (EC2)
   Acyltransferases
    CPT
     D05442  Perhexiline maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 6724-53-4
PubChem: 47207112
ChEMBL: CHEMBL1334033
DrugBank: DB01074
LigandBox: D05442
NIKKAJI: J253.796F
KCF data Show

ATOM        28
            1   C1x C     8.2600  -21.2800
            2   C1x C     8.2600  -22.6800
            3   C1x C     9.4724  -23.3800
            4   C1x C    10.6849  -22.6800
            5   C1y C    10.6849  -21.2800
            6   C1x C     9.4724  -20.5800
            7   C1x C    13.1097  -22.6800
            8   C1y C    13.1097  -21.2800
            9   C1c C    11.8973  -20.5800
            10  C1x C    14.3222  -23.3800
            11  C1x C    15.5346  -22.6800
            12  C1x C    15.5346  -21.2800
            13  C1x C    14.3222  -20.5800
            14  C1b C    11.8973  -19.1800
            15  C1y C    13.1118  -18.4788
            16  N1x N    14.3083  -19.1698
            17  C1x C    15.5208  -18.4699
            18  C1x C    15.5209  -17.0699
            19  C1x C    14.3244  -16.3790
            20  C1x C    13.1119  -17.0788
            21  C2b C    21.5984  -19.0046
            22  C2b C    19.7886  -19.0046
            23  C6a C    19.1621  -20.1879
            24  C6a C    22.2945  -20.1879
            25  O6a O    19.7886  -21.3713
            26  O6a O    21.5984  -21.3713
            27  O6a O    23.6866  -20.1879
            28  O6a O    17.8395  -20.1879
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   21  22 2
            24   22  23 1
            25   21  24 1
            26   23  25 2
            27   24  26 1
            28   24  27 2
            29   23  28 1

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