| Entry |
|
|---|
| Name |
Lemildipine (JAN/INN) |
|---|
| Formula |
C20H22Cl2N2O6
|
|---|
| Exact mass |
456.0855
|
|---|
| Mol weight |
457.3045
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
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 |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
D01151 Lemildipine
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D01151 Lemildipine (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1y C 25.0931 -18.6097
2 C8y C 25.0755 -20.9533
3 C2y C 23.9124 -17.9317
4 C2y C 26.2736 -17.9377
5 C8y C 23.8890 -21.6313
6 C8x C 26.2562 -21.6430
7 C2y C 23.9183 -16.5641
8 C7a C 22.7259 -18.6039
9 C2y C 26.2795 -16.5758
10 C7a C 27.4484 -18.6214
11 C8y C 23.8890 -22.9989
12 X Cl 22.7085 -20.9475
13 C8x C 26.2502 -22.9989
14 N1x N 25.0988 -15.8861
15 C1a C 22.7376 -15.8803
16 O7a O 21.5512 -17.9260
17 O6a O 22.7259 -19.9773
18 C1b C 27.4601 -15.8920
19 O7a O 28.6348 -17.9494
20 O6a O 27.4426 -19.9890
21 C8x C 25.0638 -23.6828
22 X Cl 22.7025 -23.6828
23 C1a C 20.3707 -18.6039
24 C1c C 29.8155 -18.6331
25 C1a C 29.8137 -20.0314
26 C1a C 31.0274 -17.9355
27 O7a O 28.6719 -16.5895
28 C7a C 29.8820 -15.8887
29 N1a N 31.0940 -16.5861
30 O6a O 29.8801 -14.4903
BOND 31
1 3 7 2
2 3 8 1
3 4 9 2
4 4 10 1
5 5 11 1
6 5 12 1
7 6 13 2
8 7 14 1
9 7 15 1
10 8 16 1
11 8 17 2
12 9 18 1
13 10 19 1
14 10 20 2
15 11 21 2
16 11 22 1
17 16 23 1
18 19 24 1
19 9 14 1
20 13 21 1
21 24 25 1
22 1 2 1
23 24 26 1
24 1 3 1
25 18 27 1
26 1 4 1
27 27 28 1
28 2 5 2
29 28 29 1
30 2 6 1
31 28 30 2
|
|---|
