Entry |
|
Name |
Bepridil (INN); Bepadin (TN) |
Formula |
C24H34N2O
|
Exact mass |
366.2671
|
Mol weight |
366.54
|
Structure |
|
Simcomp |
|
Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG01653 Antiarrhythmics
DG01807 Phenylalkylamine derivative
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
|
Remark |
Product (DG00333): | D00631<JP> |
|
Efficacy |
Antiarrhythmic, Vasodilator (coronary), Calcium channel blocker, Sodium channel blocker, Potassium channel blocker |
Target |
|
Pathway |
hsa04270 | Vascular smooth muscle contraction |
|
Metabolism |
Enzyme: CYP2D6 [HSA: 1565], CYP2C9 [HSA: 1559], CYP3A4 [HSA: 1576]
|
Interaction |
CYP inhibition: CYP2D6 [HSA: 1565]
|
Structure map |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C08 CALCIUM CHANNEL BLOCKERS
C08E NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
C08EA Phenylalkylamine derivatives
C08EA02 Bepridil
D07520 Bepridil (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00333 Bepridil
D07520 Bepridil
DG01653 Antiarrhythmics
DG01807 Phenylalkylamine derivative
DG00333 Bepridil
D07520 Bepridil
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00333 Bepridil
D07520 Bepridil
DG01644 CYP2D6 substrate
DG00333 Bepridil
D07520 Bepridil
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00333 Bepridil
D07520 Bepridil
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00333 Bepridil
D07520 Bepridil
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-T
D07520 Bepridil (INN)
CACNA1-L
D07520 Bepridil (INN)
Potassium channels
KCNA5
D07520 Bepridil (INN)
KCND3
D07520 Bepridil (INN)
KCNH2
D07520 Bepridil (INN)
KCNQ1
D07520 Bepridil (INN)
Inward rectifier channels (Kir)
KCNJ3
D07520 Bepridil (INN)
KCNJ5
D07520 Bepridil (INN)
KCNJ8
D07520 Bepridil (INN)
KCNJ11
D07520 Bepridil (INN)
KCNJ12
D07520 Bepridil (INN)
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D07520 Bepridil (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07520
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00333 Bepridil
DG01653 Antiarrhythmics
DG01807 Phenylalkylamine derivative
DG00333 Bepridil
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00333 Bepridil
DG01644 CYP2D6 substrate
DG00333 Bepridil
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00333 Bepridil
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00333 Bepridil
|
Other DBs |
|
KCF data |
ATOM 27
1 N1c N 20.2300 -19.0400
2 C1b C 21.4200 -19.7400
3 C1b C 19.0400 -19.7400
4 C1c C 22.6800 -19.0400
5 C8y C 17.8500 -19.0400
6 N1y N 23.8700 -19.7400
7 C1b C 22.6800 -17.6400
8 C8x C 16.5900 -19.7400
9 C8x C 17.8500 -17.6400
10 C1x C 24.9900 -18.9000
11 C1x C 24.2900 -21.0700
12 O2a O 23.8700 -16.9400
13 C8x C 15.4000 -19.0400
14 C8x C 16.5900 -16.9400
15 C1x C 26.1800 -19.7400
16 C1x C 25.6900 -21.0700
17 C1b C 25.0600 -17.6400
18 C8x C 15.4000 -17.6400
19 C1c C 26.3200 -16.9400
20 C1a C 27.5100 -17.6400
21 C1a C 26.3200 -15.5400
22 C8y C 20.2300 -17.6400
23 C8x C 21.4200 -16.9400
24 C8x C 21.4200 -15.5400
25 C8x C 20.2300 -14.8400
26 C8x C 19.0400 -15.5400
27 C8x C 19.0400 -16.9400
BOND 29
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1
7 5 8 2
8 5 9 1
9 6 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 2
14 10 15 1
15 11 16 1
16 12 17 1
17 13 18 2
18 17 19 1
19 19 20 1
20 19 21 1
21 14 18 1
22 15 16 1
23 1 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 22 27 1
|