| Entry |
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| Name |
Diltiazem malate (USAN);
Tiamate (TN) |
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| Formula |
C22H26N2O4S. C4H6O5
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| Exact mass |
548.1829
|
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| Mol weight |
548.61
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| Structure |
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| Simcomp |
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| 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
|
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| Remark |
| Product (DG00331): | D00616<JP/US> |
|
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| Efficacy |
Antiarrhythmic, Antihypertensive, Vasodilator (coronary), Calcium channel blocker |
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| Comment |
Benzothiazepine 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 |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
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| Structure 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
D03830 Diltiazem malate (USAN)
C08 CALCIUM CHANNEL BLOCKERS
C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
C08DB Benzothiazepine derivatives
C08DB01 Diltiazem
D03830 Diltiazem malate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01575 Calcium channel blocker
DG01496 Calcium channel L type blocker
DG00331 Diltiazem
D03830 Diltiazem malate
DG01653 Antiarrhythmics
DG00331 Diltiazem
D03830 Diltiazem malate
DG03231 Antihypertensive
DG00331 Diltiazem
D03830 Diltiazem malate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00331 Diltiazem
D03830 Diltiazem malate
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Calcium channels
CACNA1-L
D03830 Diltiazem malate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03830
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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| LinkDB |
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| KCF data |
ATOM 38
1 O6a O 34.0743 -12.2942
2 C6a C 35.2673 -12.9960
3 C1c C 36.4603 -12.2942
4 C1b C 37.6533 -12.9960
5 O1a O 36.4603 -10.8907
6 C6a C 38.8463 -12.2942
7 O6a O 40.0393 -12.9960
8 O6a O 38.8463 -10.8907
9 O6a O 35.2673 -14.3995
10 C5x C 27.3293 -15.0813
11 C1y C 26.4860 -13.9702
12 C1y C 26.8217 -12.6115
13 S2x S 28.0844 -12.0327
14 N1y N 28.7370 -15.0366
15 C8y C 29.3397 -12.6558
16 C8y C 29.6266 -14.0264
17 C8x C 30.9596 -14.4641
18 C8x C 32.0052 -13.5284
19 C8x C 31.7185 -12.1578
20 C8x C 30.3852 -11.7201
21 O5x O 26.6066 -16.2826
22 C1b C 29.4160 -16.3330
23 C8y C 25.8132 -11.6418
24 C8x C 25.8132 -10.2399
25 C8x C 24.5991 -9.5390
26 C8y C 23.3850 -10.2399
27 C8x C 23.3850 -11.6418
28 C8x C 24.5991 -12.3428
29 O2a O 22.1882 -9.5487
30 C1a C 21.0032 -10.2327
31 O7a O 25.1254 -14.2508
32 C7a C 24.6867 -15.5726
33 C1a C 23.3018 -15.8579
34 O6a O 25.6068 -16.6076
35 C1b C 30.8405 -16.2886
36 N1c N 31.5091 -17.5659
37 C1a C 32.9435 -17.5909
38 C1a C 30.7826 -18.7741
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1 #Up
5 4 6 1
6 6 7 1
7 6 8 2
8 2 9 2
9 12 13 1
10 10 14 1
11 13 15 1
12 11 12 1
13 14 16 1
14 10 11 1
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 19 20 1
20 15 20 2
21 10 21 2
22 14 22 1
23 23 24 2
24 24 25 1
25 25 26 2
26 26 27 1
27 27 28 2
28 23 28 1
29 12 23 1 #Down
30 26 29 1
31 29 30 1
32 11 31 1 #Down
33 31 32 1
34 32 33 1
35 32 34 2
36 22 35 1
37 35 36 1
38 36 37 1
39 36 38 1
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