| Entry |
|
|---|
| Name |
Vatanidipine hydrochloride (JAN);
AE 0047;
Calbren (TN) |
|---|
| Formula |
C41H42N4O6. 2HCl
|
|---|
| Exact mass |
758.2638
|
|---|
| Mol weight |
759.71
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
|
|---|
| Efficacy |
Antihypertensive, Calcium channel blocker |
|---|
| Comment |
Dihydropyridine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Interaction |
|
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| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
D01933 Vatanidipine hydrochloride
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
D01933 Vatanidipine hydrochloride
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D01933 Vatanidipine hydrochloride (JAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 53
1 C8y C 34.0474 -16.0465
2 N1y N 35.2387 -16.7473
3 C1x C 36.4300 -16.0465
4 C1x C 37.6214 -16.7473
5 N1y N 37.6214 -18.1488
6 C1x C 36.4300 -18.8496
7 C1x C 35.2387 -18.1488
8 C1c C 38.8127 -18.8496
9 C8y C 40.0741 -18.1488
10 C8y C 38.8127 -20.2512
11 C8x C 40.0741 -20.9520
12 C8x C 40.0741 -22.3535
13 C8x C 38.8127 -23.0543
14 C8x C 37.6214 -22.3535
15 C8x C 37.6214 -20.9520
16 C8x C 40.0741 -16.7473
17 C8x C 41.2654 -16.0465
18 C8x C 42.4568 -16.7473
19 C8x C 42.4568 -18.1488
20 C8x C 41.2654 -18.8496
21 C8x C 32.7860 -16.7473
22 C8x C 31.5946 -16.0465
23 C8y C 31.5946 -14.6449
24 C8x C 32.7860 -13.9442
25 C8x C 34.0474 -14.6449
26 C1b C 30.4033 -13.9442
27 C1b C 29.1419 -14.6449
28 O7a O 27.9506 -13.9442
29 C7a C 26.7592 -14.6449
30 C2y C 25.4978 -13.9442
31 O6a O 26.7592 -16.0465
32 C1y C 24.3065 -14.6449
33 C2y C 23.1152 -13.9442
34 C2y C 23.1152 -12.5426
35 N1x N 24.3065 -11.8418
36 C2y C 25.4978 -12.5426
37 C8y C 24.3065 -16.0465
38 C8x C 25.4978 -16.7473
39 C8y C 25.4978 -18.1488
40 C8x C 24.3065 -18.8496
41 C8x C 23.1152 -18.1488
42 C8x C 23.1152 -16.7473
43 C1a C 26.7592 -11.8418
44 C1a C 21.8538 -11.8418
45 N2b N 26.7592 -18.8496 #+
46 O3a O 27.9506 -18.1488
47 O3a O 26.7592 -20.2512 #-
48 C7a C 21.8538 -14.6449
49 O7a O 20.6624 -13.9442
50 C1a C 19.4711 -14.6449
51 O6a O 21.8538 -16.0465
52 X Cl 38.9200 -13.1600
53 X Cl 38.9200 -13.1600
BOND 56
1 6 7 1
2 7 2 1
3 5 8 1
4 8 9 1
5 8 10 1
6 10 11 2
7 11 12 1
8 12 13 2
9 13 14 1
10 14 15 2
11 15 10 1
12 9 16 2
13 16 17 1
14 17 18 2
15 18 19 1
16 19 20 2
17 20 9 1
18 1 2 1
19 2 3 1
20 3 4 1
21 4 5 1
22 5 6 1
23 1 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 1 25 1
29 23 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 29 31 2
35 30 32 1
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 1
40 30 36 2
41 32 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 40 41 1
46 41 42 2
47 37 42 1
48 36 43 1
49 34 44 1
50 39 45 1
51 45 46 2
52 45 47 1
53 33 48 1
54 48 49 1
55 49 50 1
56 48 51 2
BRACKET 1 37.3800 -14.0000 37.3800 -12.2500
1 39.6900 -12.2500 39.6900 -14.0000
1 2
ORIGINAL 1 52
REPEAT 1 53
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