| Entry |
|
|---|
| Name |
Perhexiline maleate (USAN) |
|---|
| Formula |
C19H35N. C4H4O4
|
|---|
| Exact mass |
393.2879
|
|---|
| Mol weight |
393.5601
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Vasodilator (coronary), Calcium channel blocker |
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C08 CALCIUM CHANNEL BLOCKERS
C08E NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
C08EX Other non-selective calcium channel blockers
C08EX02 Perhexiline
D05442 Perhexiline maleate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00334 Perhexiline
D05442 Perhexiline maleate
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00334 Perhexiline
D05442 Perhexiline maleate
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D05442 Perhexiline maleate (USAN)
Enzymes
Transferases (EC2)
Acyltransferases
CPT
D05442 Perhexiline maleate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05442
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00334 Perhexiline
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00334 Perhexiline
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1x C 8.2600 -21.2800
2 C1x C 8.2600 -22.6800
3 C1x C 9.4724 -23.3800
4 C1x C 10.6849 -22.6800
5 C1y C 10.6849 -21.2800
6 C1x C 9.4724 -20.5800
7 C1x C 13.1097 -22.6800
8 C1y C 13.1097 -21.2800
9 C1c C 11.8973 -20.5800
10 C1x C 14.3222 -23.3800
11 C1x C 15.5346 -22.6800
12 C1x C 15.5346 -21.2800
13 C1x C 14.3222 -20.5800
14 C1b C 11.8973 -19.1800
15 C1y C 13.1118 -18.4788
16 N1x N 14.3083 -19.1698
17 C1x C 15.5208 -18.4699
18 C1x C 15.5209 -17.0699
19 C1x C 14.3244 -16.3790
20 C1x C 13.1119 -17.0788
21 C2b C 21.5984 -19.0046
22 C2b C 19.7886 -19.0046
23 C6a C 19.1621 -20.1879
24 C6a C 22.2945 -20.1879
25 O6a O 19.7886 -21.3713
26 O6a O 21.5984 -21.3713
27 O6a O 23.6866 -20.1879
28 O6a O 17.8395 -20.1879
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1
9 5 9 1
10 7 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 9 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 21 22 2
24 22 23 1
25 21 24 1
26 23 25 2
27 24 26 1
28 24 27 2
29 23 28 1
|
|---|
