| Entry |
|
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| Name |
Dihydroergocryptine mesilate;
Almirid (TN) |
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| Formula |
C32H43N5O5. CH4SO3
|
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| Exact mass |
673.3145
|
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| Mol weight |
673.82
|
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| Structure |
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| Simcomp |
|
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| Class |
Neuropsychiatric agent
DG01964 Ergot alkaloid
|
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| Remark |
|
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| Efficacy |
Antiparkinsonian, Vasodilator, Dopamine receptor agonist |
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| Comment |
Ergot alkaloid
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N04 ANTI-PARKINSON DRUGS
N04B DOPAMINERGIC AGENTS
N04BC Dopamine agonists
N04BC03 Dihydroergocryptine mesylate
D07836 Dihydroergocryptine mesilate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01964 Ergot alkaloid
DG01329 Dihydroergocryptine
D07836 Dihydroergocryptine mesilate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D07836 Dihydroergocryptine mesilate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01964 Ergot alkaloid
DG01329 Dihydroergocryptine
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| Other DBs |
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| KCF data |
ATOM 47
1 C1z C 22.3300 -15.9600
2 N1y N 22.3300 -17.2200
3 C1y C 23.4500 -15.3300
4 O2x O 21.2100 -15.3300
5 O1a O 22.3300 -14.0000
6 C1y C 23.4500 -17.9200
7 C5x C 20.0900 -17.2900
8 N1y N 24.5000 -15.9600
9 C1x C 23.4500 -14.0000
10 C1z C 20.0900 -15.9600
11 C5x C 24.5000 -17.2200
12 O5x O 19.1100 -18.1300
13 C1x C 25.6200 -15.3300
14 C1x C 25.6200 -14.0000
15 N1b N 18.4800 -15.2600
16 C1c C 20.0900 -13.5100
17 O5x O 25.6200 -17.9200
18 C5a C 17.0100 -15.9600
19 C1y C 17.0100 -17.2200
20 O5a O 15.8900 -15.2600
21 C1x C 15.8900 -17.9200
22 C1x C 18.1300 -17.9200
23 C1y C 15.8900 -19.1100
24 N1y N 18.1300 -19.1100
25 C8y C 14.7700 -19.7400
26 C1y C 17.0100 -19.7400
27 C1a C 19.1800 -19.7400
28 C8y C 14.7700 -21.0700
29 C8x C 13.7200 -19.1100
30 C1x C 17.0100 -21.0700
31 C8y C 15.8900 -21.7000
32 C8y C 13.7200 -21.7000
33 C8x C 12.6000 -19.7400
34 C8x C 15.8900 -23.0300
35 N4x N 13.7200 -23.0300
36 C8x C 12.6000 -21.0700
37 C1a C 21.2800 -12.8800
38 C1a C 18.9000 -12.8800
39 C1b C 23.4500 -19.2500
40 C1c C 24.6400 -19.9500
41 C1a C 25.8300 -19.2500
42 C1a C 24.6400 -21.3500
43 S4a S 32.8300 -18.3400
44 O1d O 32.8300 -16.9400
45 O1d O 32.8300 -19.7400
46 O1d O 31.4300 -18.3400
47 C1a C 34.2300 -18.3400
BOND 52
1 4 10 1
2 6 11 1
3 7 12 2
4 8 13 1
5 9 14 1
6 10 15 1
7 10 16 1 #Up
8 11 17 2
9 15 18 1
10 19 18 1 #Up
11 18 20 2
12 19 21 1
13 19 22 1
14 21 23 1
15 22 24 1
16 23 25 1
17 23 26 1
18 24 27 1
19 25 28 1
20 25 29 2
21 26 30 1
22 28 31 1
23 28 32 2
24 29 33 1
25 31 34 2
26 32 35 1
27 32 36 1
28 7 10 1
29 8 11 1
30 13 14 1
31 24 26 1
32 30 31 1
33 33 36 2
34 34 35 1
35 16 37 1
36 16 38 1
37 1 2 1
38 1 3 1
39 1 4 1
40 1 5 1 #Down
41 2 6 1
42 2 7 1
43 3 8 1
44 3 9 1
45 6 39 1 #Down
46 39 40 1
47 40 41 1
48 40 42 1
49 43 44 2
50 43 45 2
51 43 46 1
52 43 47 1
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