| Entry |
|
|---|
| Name |
Lercanidipine (INN);
Lercanil (TN) |
|---|
| Formula |
C36H41N3O6
|
|---|
| Exact mass |
611.2995
|
|---|
| Mol weight |
611.73
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, Calcium channel blocker |
|---|
| Comment |
Dihydropyridine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| 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
D08111 Lercanidipine (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG00326 Lercanidipine
D08111 Lercanidipine
DG03231 Antihypertensive
DG01928 Dihydropyridine calcium channel blocker
DG00326 Lercanidipine
D08111 Lercanidipine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00326 Lercanidipine
D08111 Lercanidipine
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D08111 Lercanidipine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08111
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
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 45
1 C1y C 19.3200 -17.5000
2 C8y C 19.3200 -18.8300
3 C2y C 20.5100 -16.8000
4 C2y C 18.1300 -16.8000
5 C8x C 20.5100 -19.5300
6 C8x C 18.1300 -19.5300
7 C2y C 20.5100 -15.4000
8 C7a C 21.7000 -17.5000
9 C2y C 18.1300 -15.4000
10 C7a C 16.9400 -17.5000
11 C8y C 20.5100 -20.9300
12 C8x C 18.1300 -20.9300
13 N1x N 19.3200 -14.7000
14 C1a C 21.7000 -14.7000
15 O7a O 22.8900 -16.8000
16 O6a O 21.7000 -18.8300
17 C1a C 16.9400 -14.7000
18 O7a O 15.7500 -16.8000
19 O6a O 16.9400 -18.8300
20 C8x C 19.3200 -21.6300
21 N2b N 21.7000 -21.6300 #+
22 C1d C 24.0800 -17.5000
23 C1a C 14.5600 -17.5000
24 O3a O 23.2400 -20.6500
25 O3a O 21.7000 -23.3100 #-
26 C1b C 25.2700 -16.8000
27 N1c N 26.4600 -17.5000
28 C1b C 27.7200 -16.8000
29 C1a C 26.4600 -18.8300
30 C1b C 28.9100 -17.5000
31 C1c C 30.1000 -16.8000
32 C8y C 31.2900 -17.5000
33 C8y C 30.1000 -15.4000
34 C8x C 31.2900 -14.7000
35 C8x C 31.2900 -13.3000
36 C8x C 30.1000 -12.6000
37 C8x C 28.9100 -13.3000
38 C8x C 28.9100 -14.7000
39 C8x C 31.2900 -18.8300
40 C8x C 32.4800 -19.5300
41 C8x C 33.7400 -18.8300
42 C8x C 33.7400 -17.4300
43 C8x C 32.4800 -16.8000
44 C1a C 23.3800 -18.6900
45 C1a C 24.7800 -18.6900
BOND 48
1 8 15 1
2 8 16 2
3 9 17 1
4 10 18 1
5 10 19 2
6 11 20 1
7 11 21 1
8 15 22 1
9 18 23 1
10 21 24 2
11 21 25 1
12 22 26 1
13 26 27 1
14 27 28 1
15 27 29 1
16 28 30 1
17 9 13 1
18 12 20 2
19 30 31 1
20 31 32 1
21 1 2 1
22 31 33 1
23 1 3 1
24 1 4 1
25 2 5 1
26 2 6 2
27 3 7 2
28 33 34 1
29 34 35 2
30 35 36 1
31 36 37 2
32 37 38 1
33 38 33 2
34 3 8 1
35 4 9 2
36 4 10 1
37 5 11 2
38 6 12 1
39 32 39 1
40 39 40 2
41 40 41 1
42 41 42 2
43 42 43 1
44 43 32 2
45 7 13 1
46 22 44 1
47 7 14 1
48 22 45 1
|
|---|
