| Entry |
|
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| Name |
Lercanidipine hydrochloride (JAN/USAN);
Cardiovasc (TN) |
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| Formula |
C36H41N3O6. HCl
|
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| Exact mass |
647.2762
|
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| Mol weight |
648.18
|
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| Structure |
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| Simcomp |
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| Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
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| Remark |
|
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| Efficacy |
Antihypertensive, Calcium channel blocker |
|---|
| Comment |
Dihydropyridine derivative
|
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| Target |
|
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| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
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| Metabolism |
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| Interaction |
|
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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
C08CA13 Lercanidipine
D01849 Lercanidipine hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG00326 Lercanidipine
D01849 Lercanidipine hydrochloride
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
DG00326 Lercanidipine
D01849 Lercanidipine hydrochloride
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00326 Lercanidipine
D01849 Lercanidipine hydrochloride
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D01849 Lercanidipine hydrochloride (JAN/USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01849
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG00326 Lercanidipine
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
DG00326 Lercanidipine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00326 Lercanidipine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 46
1 X Cl 32.2853 -23.9052
2 C1y C 20.8600 -18.6010
3 C8y C 20.8600 -19.9829
4 C2y C 22.0493 -17.9130
5 C2y C 19.6648 -17.9130
6 C8x C 22.0610 -20.6709
7 C8x C 19.6765 -20.6709
8 C2y C 22.0493 -16.5313
9 C7a C 23.2504 -18.6010
10 C2y C 19.6648 -16.5313
11 C7a C 18.4696 -18.6069
12 C8y C 22.0669 -22.0468
13 C8x C 19.6765 -22.0526
14 N1x N 20.8600 -15.8433
15 C1a C 23.2504 -15.8433
16 O7a O 24.4456 -17.9130
17 O6a O 23.2504 -19.9829
18 C1a C 18.4696 -15.8433
19 O7a O 17.2684 -17.9130
20 O6a O 18.4696 -19.9829
21 C8x C 20.8717 -22.7405
22 N2b N 23.2678 -22.7405 #+
23 C1d C 25.6409 -18.6010
24 C1a C 16.0732 -18.6069
25 O3a O 24.7662 -21.7785
26 O3a O 23.2269 -24.4313 #-
27 C1b C 26.8418 -17.9073
28 N1c N 28.0311 -18.6010
29 C1b C 29.2263 -17.9073
30 C1a C 27.9670 -19.9829
31 C1b C 30.4215 -18.5953
32 C1c C 31.6286 -17.8961
33 C8y C 32.8375 -18.5920
34 C8y C 31.6269 -16.5012
35 C8x C 32.8356 -15.8060
36 C8x C 32.8338 -14.4111
37 C8x C 31.6249 -13.7153
38 C8x C 30.4178 -14.4143
39 C8x C 30.4195 -15.8092
40 C8x C 32.8363 -19.9805
41 C8x C 34.0454 -20.6764
42 C8x C 35.2524 -19.9773
43 C8x C 35.2506 -18.5824
44 C8x C 34.0417 -17.8866
45 C1a C 24.9304 -19.8050
46 C1a C 26.3253 -19.8050
BOND 48
1 9 16 1
2 9 17 2
3 10 18 1
4 11 19 1
5 11 20 2
6 12 21 1
7 12 22 1
8 16 23 1
9 19 24 1
10 22 25 2
11 22 26 1
12 23 27 1
13 27 28 1
14 28 29 1
15 28 30 1
16 29 31 1
17 10 14 1
18 13 21 2
19 31 32 1
20 32 33 1
21 2 3 1
22 32 34 1
23 2 4 1
24 2 5 1
25 3 6 1
26 3 7 2
27 4 8 2
28 34 35 1
29 35 36 2
30 36 37 1
31 37 38 2
32 38 39 1
33 39 34 2
34 4 9 1
35 5 10 2
36 5 11 1
37 6 12 2
38 7 13 1
39 33 40 1
40 40 41 2
41 41 42 1
42 42 43 2
43 43 44 1
44 44 33 2
45 8 14 1
46 23 45 1
47 8 15 1
48 23 46 1
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