| Entry |
|
|---|
| Name |
Nicomorphine hydrochloride;
Vilan (TN) |
|---|
| Formula |
C29H25N3O5. HCl
|
|---|
| Exact mass |
531.1561
|
|---|
| Mol weight |
531.9868
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Analgesic
DG01984 Opioid analgesics
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic (narcotic) |
|---|
| Comment |
Opium alkaloid
Active form of prodrug: Morphine [DR: D08233]
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02A OPIOIDS
N02AA Natural opium alkaloids
N02AA04 Nicomorphine
D08273 Nicomorphine hydrochloride
Drug groups [BR:br08330]
Analgesic
DG01984 Opioid analgesics
DG00812 Nicomorphine
D08273 Nicomorphine hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D08273 Nicomorphine hydrochloride
Drug groups [BR:br08330]
Analgesic
DG01984 Opioid analgesics
DG00812 Nicomorphine
Prodrugs [br08324.html]
DG00812
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 38
1 C1z C 28.6103 -17.8846
2 C8y C 28.6103 -16.6221
3 C1y C 29.8026 -18.5860
4 C1y C 27.4881 -18.5158
5 C1x C 29.8026 -17.2533
6 C8y C 27.4881 -15.9908
7 C8y C 29.8026 -15.9908
8 C1y C 30.8547 -17.8846
9 C2x C 29.8026 -19.8485
10 O2x O 26.1554 -17.1832
11 C1y C 27.4881 -19.8485
12 C1x C 31.9769 -17.2533
13 C8y C 27.4881 -14.6582
14 C1x C 30.8547 -16.6922
15 C8x C 29.8026 -14.6582
16 N1y N 31.9769 -18.5860
17 C2x C 28.6103 -20.5499
18 O7a O 26.3658 -20.5499
19 C8x C 28.6804 -14.0269
20 O7a O 26.3658 -14.0269
21 C1a C 33.3797 -18.5860
22 C7a C 26.3658 -21.9526
23 O6a O 27.6283 -22.6540
24 C8y C 25.1735 -22.7242
25 C8x C 23.9110 -22.0228
26 N5x N 22.7888 -22.7242
27 C8x C 22.7886 -24.1269
28 C8x C 23.9811 -24.8283
29 C8x C 25.1735 -24.1269
30 C7a C 25.1735 -14.7283
31 C8y C 23.9110 -14.0269
32 O6a O 25.1735 -16.1311
33 C8x C 23.9110 -12.6242
34 C8x C 22.7186 -11.9228
35 C8x C 21.5261 -12.6242
36 N5x N 21.5263 -14.0971
37 C8x C 22.7186 -14.7283
38 X Cl 32.7219 -24.5358
BOND 43
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 2
17 11 18 1 #Down
18 13 19 2
19 13 20 1
20 6 10 1
21 8 14 1
22 11 17 1
23 12 16 1
24 15 19 1
25 16 21 1
26 18 22 1
27 22 23 2
28 22 24 1
29 24 25 1
30 25 26 2
31 26 27 1
32 27 28 2
33 28 29 1
34 24 29 2
35 20 30 1
36 30 31 1
37 30 32 2
38 31 33 2
39 33 34 1
40 34 35 2
41 35 36 1
42 36 37 2
43 31 37 1
|
|---|
