| Entry |
|
|---|
| Name |
Nicomorphine (INN) |
|---|
| Formula |
C29H25N3O5
|
|---|
| Exact mass |
495.1794
|
|---|
| Mol weight |
495.5259
|
|---|
| 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
D07285 Nicomorphine (INN)
Drug groups [BR:br08330]
Analgesic
DG01984 Opioid analgesics
DG00812 Nicomorphine
D07285 Nicomorphine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D07285 Nicomorphine (INN)
Prodrugs [br08324.html]
D07285
Drug groups [BR:br08330]
Analgesic
DG01984 Opioid analgesics
DG00812 Nicomorphine
Prodrugs [br08324.html]
DG00812
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C1z C 25.7600 -19.0400
2 C8y C 25.7600 -17.7800
3 C1y C 26.9500 -19.7400
4 C1y C 24.6400 -19.6700
5 C1x C 26.9500 -18.4100
6 C8y C 24.6400 -17.1500
7 C8y C 26.9500 -17.1500
8 C1y C 28.0000 -19.0400
9 C2x C 26.9500 -21.0000
10 O2x O 23.3100 -18.3400
11 C1y C 24.6400 -21.0000
12 C1x C 29.1200 -18.4100
13 C8y C 24.6400 -15.8200
14 C1x C 28.0000 -17.8500
15 C8x C 26.9500 -15.8200
16 N1y N 29.1200 -19.7400
17 C2x C 25.7600 -21.7000
18 O7a O 23.5200 -21.7000
19 C8x C 25.8300 -15.1900
20 O7a O 23.5200 -15.1900
21 C1a C 30.5200 -19.7400
22 C7a C 23.5459 -23.0998
23 O6a O 24.7512 -23.7665
24 C8y C 22.3276 -23.8336
25 C8x C 21.0901 -23.1498
26 N5x N 19.9611 -23.8725
27 C8x C 19.9174 -25.2723
28 C8x C 21.1549 -25.9561
29 C8x C 22.3539 -25.2334
30 C7a C 22.3155 -15.9035
31 C8y C 21.1007 -15.2201
32 O6a O 22.3311 -17.2900
33 C8x C 21.0854 -13.7901
34 C8x C 19.8655 -13.1031
35 C8x C 18.6607 -13.8160
36 N5x N 18.6759 -15.2460
37 C8x C 19.8958 -15.9330
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
|
|---|
