KEGG   DRUG: D07845Help
Entry
D07845                      Drug                                   

Name
Diltiazem (INN);
Surazem (TN)
Formula
C22H26N2O4S
Exact mass
414.1613
Mol weight
414.5178
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Calcium antagonist;
Coronary vasodilator
Remark
Same as: 
ATC code: 
Drug group: 
Comment
Benzothiazepines
Target
calcium channel L type blocker [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], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551], CYP2D6 [HSA:1565]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
Calcium channel blocking drugs
Antiarrhythmic drugs
Other map
Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AE Muscle relaxants
     C05AE03 Diltiazem
      D07845  Diltiazem (INN)
  C08 CALCIUM CHANNEL BLOCKERS
   C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
    C08DB Benzothiazepine derivatives
     C08DB01 Diltiazem
      D07845  Diltiazem (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Calcium Channel Blocking Agents
   Diltiazem
    D07845  Diltiazem (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
     Diltiazem
      D07845  Diltiazem (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Diltiazem
    D07845  Diltiazem (INN)
  CYP3A5
   Diltiazem
    D07845  Diltiazem (INN)
  CYP3A7
   Diltiazem
    D07845  Diltiazem (INN)
 Inhbitors
  CYP2D6
   Diltiazem
    D07845  Diltiazem (INN)
  CYP3A4
   Diltiazem
    D07845  Diltiazem (INN)
  CYP3A5
   Diltiazem
    D07845  Diltiazem (INN)
  CYP3A7
   Diltiazem
    D07845  Diltiazem (INN)
  CYP3A
   Diltiazem
    D07845  Diltiazem (INN)
BRITE hierarchy
Other DBs
CAS: 
42399-41-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C5x C    24.5700  -18.9700
            2   C1y C    23.7300  -17.8500
            3   C1y C    24.0800  -16.4500
            4   S2x S    25.3400  -15.8900
            5   N1y N    25.9700  -18.9000
            6   C8y C    26.6000  -16.5200
            7   C8y C    26.8800  -17.9200
            8   C8x C    28.2100  -18.3400
            9   C8x C    29.2600  -17.4300
            10  C8x C    28.9800  -16.0300
            11  C8x C    27.6500  -15.6100
            12  O5x O    23.8700  -20.1600
            13  C1b C    26.6700  -20.1600
            14  C8y C    23.0300  -15.5400
            15  C8x C    23.0300  -14.0700
            16  C8x C    21.8400  -13.3700
            17  C8y C    20.6500  -14.0700
            18  C8x C    20.6500  -15.5400
            19  C8x C    21.8400  -16.2400
            20  O2a O    19.3900  -13.4400
            21  C1a C    18.2000  -14.0700
            22  O7a O    22.3300  -18.1300
            23  C7a C    21.9100  -19.4600
            24  C1a C    20.5100  -19.7400
            25  O6a O    22.8200  -20.5100
            26  C1b C    28.0700  -20.0900
            27  N1c N    28.7700  -21.2800
            28  C1a C    30.1700  -21.3500
            29  C1a C    28.0000  -22.5400
BOND        31
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    6  11 2
            13    1  12 2
            14    5  13 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21    3  14 1 #Down
            22   17  20 1
            23   20  21 1
            24    2  22 1 #Down
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   13  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

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