| Entry |
|
|---|
| Name |
Reserpine (JP18/USP/INN);
Apoplon (TN);
Serpalan (TN) |
|---|
| Formula |
C33H40N2O9
|
|---|
| Exact mass |
608.2734
|
|---|
| Mol weight |
608.6787
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Source |
Rauvolfia serpentina [TAX: 4060]
|
|---|
| Class |
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01737 Rauwolfia alkaloid
DG01617 Catecholamine synthesis inhibitors
Transporter inhibitor
DG02867 ABCC2 inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, Antipsychotic, Vesicular monoamine transporter inhibitor |
|---|
| Comment |
Rauwolfia alkaloid
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
Transporter inhibition: ABCC2 [HSA: 1244]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C02 ANTIHYPERTENSIVES
C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02AA Rauwolfia alkaloids
C02AA02 Reserpine
D00197 Reserpine (JP18/USP/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01737 Rauwolfia alkaloid
D00197 Reserpine
DG01617 Catecholamine synthesis inhibitors
D00197 Reserpine
Transporter inhibitor
DG02867 ABCC2 inhibitor
D00197 Reserpine
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC18
SLC18A1 (VMAT1)
D00197 Reserpine (JP18/USP/INN)
SLC18A2 (VMAT2)
D00197 Reserpine (JP18/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00197 Reserpine
D00197 Reserpine tablets
D00197 0.1% Reserpine powder
D00197 Reserpine injection
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D00197
|
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| Other DBs |
|
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| KCF data |
ATOM 44
1 C8y C 14.4712 -16.7139
2 C1y C 15.6688 -15.9949
3 N1y N 15.6450 -14.5981
4 C1x C 14.4234 -13.9204
5 C1x C 13.2257 -14.6395
6 C8y C 13.2496 -16.0363
7 C1x C 16.8904 -16.6725
8 C1y C 18.0881 -15.9534
9 C1y C 18.0642 -14.5567
10 C1x C 16.8426 -13.8791
11 C1y C 19.3097 -16.6312
12 C1y C 20.5073 -15.9121
13 C1y C 20.4834 -14.5153
14 C1x C 19.2619 -13.8377
15 C8y C 12.1078 -17.0605
16 C8y C 12.8175 -18.2549
17 N4x N 14.2041 -18.0851
18 C8x C 10.7110 -17.0780
19 C8x C 10.0277 -18.2965
20 C8y C 10.7374 -19.4908
21 C8x C 12.1342 -19.4733
22 O2a O 10.0560 -20.7064
23 C1a C 8.6196 -20.7249
24 C7a C 19.3337 -18.0495
25 O7a O 21.6809 -13.7964
26 O2a O 21.7479 -16.6001
27 O6a O 18.1454 -18.7627
28 O7a O 20.5478 -18.7233
29 C1a C 22.9456 -15.8811
30 C7a C 21.7268 -12.3802
31 C8y C 22.8463 -11.6663
32 O6a O 20.4439 -11.7073
33 C8x C 24.0803 -12.3510
34 C8y C 25.2781 -11.6321
35 C8y C 25.2543 -10.2354
36 C8y C 24.0202 -9.5506
37 C8x C 22.8225 -10.2695
38 O2a O 26.4520 -9.5164
39 C1a C 25.1942 -7.4348
40 O2a O 23.9964 -8.1538
41 O2a O 26.4826 -12.3004
42 C1a C 27.6825 -11.5800
43 C1a C 21.7867 -17.9802
44 C1a C 27.6838 -10.1999
BOND 49
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 6 15 1
18 15 16 1
19 16 17 1
20 1 17 1
21 15 18 2
22 18 19 1
23 19 20 2
24 20 21 1
25 16 21 2
26 20 22 1
27 22 23 1
28 11 24 1 #Up
29 13 25 1 #Up
30 12 26 1 #Down
31 24 27 2
32 24 28 1
33 26 29 1
34 25 30 1
35 30 31 1
36 30 32 2
37 31 33 2
38 33 34 1
39 34 35 2
40 35 36 1
41 36 37 2
42 31 37 1
43 35 38 1
44 39 40 1
45 36 40 1
46 34 41 1
47 41 42 1
48 28 43 1
49 38 44 1
|
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