| Entry |
|
|---|
| Name |
Barnidipine (INN);
Vasexten (TN) |
|---|
| Formula |
C27H29N3O6
|
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| Exact mass |
491.2056
|
|---|
| Mol weight |
491.53
|
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| Structure |
|
|---|
| Simcomp |
|
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| 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 (DG00325): | D01104<JP> |
|
|---|
| Efficacy |
Antihypertensive, Calcium channel blocker |
|---|
| Comment |
Dihydropyridine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| 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
C08CA Dihydropyridine derivatives
C08CA12 Barnidipine
D07494 Barnidipine (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00325 Barnidipine
D07494 Barnidipine
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
DG00325 Barnidipine
D07494 Barnidipine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00325 Barnidipine
D07494 Barnidipine
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D07494 Barnidipine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07494
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00325 Barnidipine
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
DG00325 Barnidipine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00325 Barnidipine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 36
1 C1b C 29.8200 -18.2000
2 N1y N 28.6300 -17.5700
3 C1x C 29.0500 -16.2400
4 C1x C 27.9300 -15.4000
5 C1y C 26.8100 -16.2400
6 C1x C 27.2300 -17.5700
7 C2y C 20.7900 -14.1400
8 C2y C 20.7900 -15.5400
9 C1y C 22.0500 -16.2400
10 C2y C 23.2400 -15.5400
11 C2y C 23.2400 -14.1400
12 N1x N 22.0500 -13.4400
13 C8y C 22.0500 -17.6400
14 C8x C 20.8600 -18.3400
15 C8x C 20.8600 -19.6700
16 C8x C 22.0500 -20.3700
17 C8y C 23.2400 -19.6700
18 C8x C 23.2400 -18.2700
19 C7a C 24.4300 -16.2400
20 O6a O 24.4300 -17.6400
21 O7a O 25.6200 -15.5400
22 C1a C 24.4300 -13.4400
23 C1a C 19.6000 -13.4400
24 C7a C 19.6000 -16.2400
25 O7a O 18.4100 -15.5400
26 O6a O 19.6000 -17.6400
27 C1a C 17.2200 -16.2400
28 N2b N 24.4300 -20.3700 #+
29 O3a O 24.4300 -21.7700 #-
30 O3a O 25.9700 -19.3200
31 C8y C 29.8200 -19.6000
32 C8x C 28.6300 -20.3000
33 C8x C 28.6300 -21.7000
34 C8x C 29.8200 -22.4000
35 C8x C 31.0800 -21.7000
36 C8x C 31.0800 -20.3000
BOND 39
1 17 18 1
2 18 13 2
3 3 4 1
4 10 19 1
5 4 5 1
6 19 20 2
7 7 8 2
8 19 21 1
9 5 21 1 #Up
10 8 9 1
11 11 22 1
12 9 10 1
13 7 23 1
14 10 11 2
15 8 24 1
16 11 12 1
17 24 25 1
18 12 7 1
19 24 26 2
20 5 6 1
21 25 27 1
22 9 13 1 #Up
23 17 28 1
24 6 2 1
25 28 29 1
26 28 30 2
27 1 2 1
28 1 31 1
29 2 3 1
30 13 14 1
31 14 15 2
32 15 16 1
33 31 32 2
34 32 33 1
35 33 34 2
36 34 35 1
37 35 36 2
38 36 31 1
39 16 17 2
|
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