| Entry |
|
|---|
| Name |
Benidipine (INN) |
|---|
| Formula |
C28H31N3O6
|
|---|
| Exact mass |
505.2213
|
|---|
| Mol weight |
505.56
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00327): | D02045<JP> |
|
|---|
| Efficacy |
Antihypertensive, Vasodilator, Calcium channel blocker |
|---|
| Comment |
Dihydropyridine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C08 CALCIUM CHANNEL BLOCKERS
C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
C08CA Dihydropyridine derivatives
C08CA15 Benidipine
D07509 Benidipine (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00327 Benidipine
D07509 Benidipine
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
DG00327 Benidipine
D07509 Benidipine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00327 Benidipine
D07509 Benidipine
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D07509 Benidipine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07509
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00327 Benidipine
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
DG00327 Benidipine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00327 Benidipine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C2y C 19.3900 -14.4900
2 C2y C 19.3900 -15.8900
3 C1y C 20.5800 -16.5900
4 C2y C 21.7700 -15.8900
5 C2y C 21.7700 -14.4900
6 N1x N 20.5800 -13.7900
7 C1a C 18.2000 -13.7900
8 C1a C 22.9600 -13.7900
9 C8y C 20.5800 -17.9200
10 C8x C 19.3900 -18.6200
11 C8x C 19.3900 -20.0200
12 C8x C 20.5800 -20.7200
13 C8y C 21.7700 -20.0200
14 C8x C 21.7700 -18.6200
15 N2b N 22.9600 -20.7200 #+
16 O3a O 24.5000 -19.6700
17 O3a O 22.9600 -22.1200 #-
18 C7a C 22.9600 -16.5900
19 O7a O 24.2200 -15.8900
20 O6a O 22.9600 -17.9200
21 C1y C 25.4100 -16.5900
22 C1x C 25.4100 -17.9200
23 C1x C 26.6000 -18.6200
24 C1x C 27.7900 -17.9200
25 N1y N 27.7900 -16.5900
26 C1x C 26.6000 -15.8900
27 C1b C 28.9800 -15.8900
28 C8y C 30.2400 -16.5900
29 C7a C 18.2000 -16.5900
30 O7a O 16.9400 -15.8900
31 O6a O 18.2000 -17.9200
32 C1a C 15.7500 -16.5900
33 C8x C 30.2400 -17.9200
34 C8x C 31.4300 -18.6200
35 C8x C 32.6200 -17.9200
36 C8x C 32.6200 -16.5900
37 C8x C 31.4300 -15.8900
BOND 40
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 5 8 1
9 3 9 1 #Down
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 13 15 1
17 15 16 2
18 15 17 1
19 4 18 1
20 18 19 1
21 18 20 2
22 21 19 1 #Up
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 21 26 1
29 25 27 1
30 27 28 1
31 2 29 1
32 29 30 1
33 29 31 2
34 30 32 1
35 28 33 2
36 33 34 1
37 34 35 2
38 35 36 1
39 36 37 2
40 28 37 1
|
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