| Entry |
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| Name |
Mibefradil dihydrochloride (USAN);
Posicor (TN) |
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| Formula |
C29H38FN3O3. 2HCl
|
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| Exact mass |
567.2431
|
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| Mol weight |
568.55
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| Structure |
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| Simcomp |
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| 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
|
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| Remark |
|
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| Efficacy |
Vasodilator, Calcium channel blocker |
|---|
| Target |
|
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| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
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| Interaction |
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| 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
D05024 Mibefradil dihydrochloride (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01573 Calcium channel T type blocker
DG00328 Mibefradil
D05024 Mibefradil dihydrochloride
Metabolizing enzyme inhibitor
DG01634 CYP1A2 inhibitor
DG00328 Mibefradil
D05024 Mibefradil dihydrochloride
DG01645 CYP2D6 inhibitor
DG00328 Mibefradil
D05024 Mibefradil dihydrochloride
DG02852 CYP3A/CYP3A4 inhibitor
DG00328 Mibefradil
D05024 Mibefradil dihydrochloride
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-T
D05024 Mibefradil dihydrochloride (USAN)
CACNA1-L
D05024 Mibefradil dihydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05024
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
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 38
1 C1z C 21.7941 -16.1905
2 C1y C 20.6239 -16.8076
3 C1x C 21.7767 -14.8515
4 C1b C 23.0342 -17.0230
5 O7a O 24.0997 -13.9607
6 C8y C 19.4770 -16.1089
7 C1c C 20.5716 -18.1526
8 C1x C 20.7114 -14.1354
9 C1b C 24.2220 -16.3886
10 C7a C 25.2989 -14.6476
11 C8y C 19.4596 -14.7758
12 C8x C 18.3068 -16.7436
13 C1a C 19.3781 -18.7929
14 C1a C 21.7068 -18.8744
15 N1c N 25.3572 -17.1046
16 C1b C 26.4808 -13.9607
17 O6a O 25.2989 -16.0216
18 C8x C 18.3826 -14.0539
19 C8x C 17.1600 -16.0449
20 C1b C 26.5508 -16.4641
21 C1a C 25.3222 -18.4495
22 O2a O 27.6685 -14.6476
23 C8y C 17.1308 -14.7002
24 C1b C 27.6802 -17.1919
25 C1a C 28.8621 -13.9607
26 X F 16.0480 -13.9899
27 C1b C 28.8736 -16.5514
28 C8y C 30.0089 -17.2675
29 N4x N 30.0436 -18.6182
30 N5x N 31.2780 -16.7727
31 C8y C 31.4177 -18.9327
32 C8y C 32.1397 -17.7857
33 C8x C 32.0467 -20.1087
34 C8x C 33.4730 -17.7682
35 C8x C 33.3857 -20.0910
36 C8x C 34.1017 -19.0374
37 X Cl 35.2100 -15.4700
38 X Cl 35.2100 -15.4700
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
BRACKET 1 33.5300 -16.5200 33.5300 -14.4900
1 36.0500 -14.4900 36.0500 -16.5200
1 2
ORIGINAL 1 37
REPEAT 1 38
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