| Entry |
|
|---|
| Name |
Mibefradil (INN) |
|---|
| Formula |
C29H38FN3O3
|
|---|
| Exact mass |
495.2897
|
|---|
| Mol weight |
495.6287
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG01573 Calcium channel T type blocker
Metabolizing enzyme inhibitor
DG01634 CYP1A2 inhibitor
DG01645 CYP2D6 inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Vasodilator, Calcium channel blocker |
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Interaction |
|
|---|
| Structure map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C08 CALCIUM CHANNEL BLOCKERS
C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
C08CX Other selective calcium channel blockers with mainly vascular effects
C08CX01 Mibefradil
D08217 Mibefradil (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01573 Calcium channel T type blocker
DG00328 Mibefradil
D08217 Mibefradil
Metabolizing enzyme inhibitor
DG01634 CYP1A2 inhibitor
DG00328 Mibefradil
D08217 Mibefradil
DG01645 CYP2D6 inhibitor
DG00328 Mibefradil
D08217 Mibefradil
DG02852 CYP3A/CYP3A4 inhibitor
DG00328 Mibefradil
D08217 Mibefradil
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-T
D08217 Mibefradil (INN)
CACNA1-L
D08217 Mibefradil (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08217
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01573 Calcium channel T type blocker
DG00328 Mibefradil
Metabolizing enzyme inhibitor
DG01634 CYP1A2 inhibitor
DG00328 Mibefradil
DG01645 CYP2D6 inhibitor
DG00328 Mibefradil
DG02852 CYP3A/CYP3A4 inhibitor
DG00328 Mibefradil
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 36
1 C1z C 20.8600 -17.0800
2 C1y C 19.7400 -17.7100
3 C1x C 20.8600 -15.7500
4 C1b C 22.1200 -17.9200
5 O7a O 23.1700 -14.8400
6 C8y C 18.5500 -17.0100
7 C1c C 19.6700 -19.0400
8 C1x C 19.8100 -15.0500
9 C1b C 23.3100 -17.2900
10 C7a C 24.3600 -15.5400
11 C8y C 18.5500 -15.6800
12 C8x C 17.4300 -17.6400
13 C1a C 18.4800 -19.6700
14 C1a C 20.7900 -19.8100
15 N1c N 24.4300 -17.9900
16 C1b C 25.5500 -14.8400
17 O6a O 24.3600 -16.9400
18 C8x C 17.5000 -14.9800
19 C8x C 16.2400 -16.9400
20 C1b C 25.6200 -17.3600
21 C1a C 24.4300 -19.3900
22 O2a O 26.7400 -15.5400
23 C8y C 16.2400 -15.6100
24 C1b C 26.7400 -18.1300
25 C1a C 27.9300 -14.8400
26 X F 15.1200 -14.9100
27 C1b C 27.9300 -17.4300
28 C8y C 29.1200 -18.2000
29 N4x N 29.1200 -19.5300
30 N5x N 30.3800 -17.7100
31 C8y C 30.5200 -19.8100
32 C8y C 31.2200 -18.6900
33 C8x C 31.1500 -21.0000
34 C8x C 32.5500 -18.6900
35 C8x C 32.4800 -21.0000
36 C8x C 33.1800 -19.9500
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1 #Up
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 6 12 1
12 7 13 1
13 7 14 1
14 9 15 1
15 10 16 1
16 10 17 2
17 11 18 1
18 12 19 2
19 15 20 1
20 15 21 1
21 16 22 1
22 18 23 2
23 20 24 1
24 22 25 1
25 23 26 1
26 24 27 1
27 27 28 1
28 28 29 1
29 28 30 2
30 29 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 33 35 2
35 34 36 2
36 8 11 1
37 19 23 1
38 31 32 2
39 35 36 1
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