| Entry |
|
|---|
| Name |
Diltiazem (INN);
Surazem (TN) |
|---|
| Formula |
C22H26N2O4S
|
|---|
| Exact mass |
414.1613
|
|---|
| Mol weight |
414.5178
|
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| Structure |
|
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| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG01653 Antiarrhythmics
DG03231 Antihypertensive
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00331): | D00616<JP/US> |
|
|---|
| Efficacy |
Antiarrhythmic, Antihypertensive, Vasodilator (coronary), Calcium channel blocker |
|---|
| Comment |
Benzothiazepine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
|
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| Other map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C05 VASOPROTECTIVES
C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
C05AE Muscle relaxants
C05AE03 Diltiazem
D07845 Diltiazem (INN)
C08 CALCIUM CHANNEL BLOCKERS
C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
C08DB Benzothiazepine derivatives
C08DB01 Diltiazem
D07845 Diltiazem (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00331 Diltiazem
D07845 Diltiazem
DG01653 Antiarrhythmics
DG00331 Diltiazem
D07845 Diltiazem
DG03231 Antihypertensive
DG00331 Diltiazem
D07845 Diltiazem
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00331 Diltiazem
D07845 Diltiazem
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D07845 Diltiazem (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07845
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00331 Diltiazem
DG01653 Antiarrhythmics
DG00331 Diltiazem
DG03231 Antihypertensive
DG00331 Diltiazem
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00331 Diltiazem
|
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| Other DBs |
|
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| KCF data |
ATOM 29
1 C5x C 24.5700 -18.9700
2 C1y C 23.7300 -17.8500
3 C1y C 24.0800 -16.4500
4 S2x S 25.3400 -15.8900
5 N1y N 25.9700 -18.9000
6 C8y C 26.6000 -16.5200
7 C8y C 26.8800 -17.9200
8 C8x C 28.2100 -18.3400
9 C8x C 29.2600 -17.4300
10 C8x C 28.9800 -16.0300
11 C8x C 27.6500 -15.6100
12 O5x O 23.8700 -20.1600
13 C1b C 26.6700 -20.1600
14 C8y C 23.0300 -15.5400
15 C8x C 23.0300 -14.0700
16 C8x C 21.8400 -13.3700
17 C8y C 20.6500 -14.0700
18 C8x C 20.6500 -15.5400
19 C8x C 21.8400 -16.2400
20 O2a O 19.3900 -13.4400
21 C1a C 18.2000 -14.0700
22 O7a O 22.3300 -18.1300
23 C7a C 21.9100 -19.4600
24 C1a C 20.5100 -19.7400
25 O6a O 22.8200 -20.5100
26 C1b C 28.0700 -20.0900
27 N1c N 28.7700 -21.2800
28 C1a C 30.1700 -21.3500
29 C1a C 28.0000 -22.5400
BOND 31
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 6 11 2
13 1 12 2
14 5 13 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 3 14 1 #Down
22 17 20 1
23 20 21 1
24 2 22 1 #Down
25 22 23 1
26 23 24 1
27 23 25 2
28 13 26 1
29 26 27 1
30 27 28 1
31 27 29 1
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