Entry |
|
Name |
Oxycodegol (USAN/INN); Loxicodegol |
Formula |
C31H49NO10
|
Exact mass |
595.3356
|
Mol weight |
595.7215
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Analgesic (narcotic), Opioid receptor agonist |
Comment |
Treatment of moderate to severe chronic low back pain
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D11424 Oxycodegol (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 42
1 C1z C 18.0319 -16.8435
2 C8y C 18.0319 -15.4457
3 C1z C 19.2200 -17.4725
4 C1y C 16.9137 -17.4725
5 C8y C 16.9137 -14.8167
6 C8y C 19.2200 -14.8167
7 C1y C 20.4082 -16.7736
8 C1x C 19.2200 -18.8004
9 O1a O 20.4082 -18.4509
10 O2x O 16.2148 -16.1446
11 C1y C 16.9137 -18.8004
12 C8y C 16.9137 -13.4189
13 C1x C 20.4082 -15.4457
14 C8x C 19.2200 -13.4189
15 N1y N 21.5264 -17.4725
16 C1x C 18.1018 -19.4993
17 C8x C 18.0319 -12.7898
18 O2a O 15.7256 -12.7898
19 C1a C 22.8543 -17.4725
20 C1x C 21.5264 -16.1446
21 C1x C 19.2899 -16.1445
22 C1a C 14.4675 -13.4887
23 O2a O 15.7061 -19.4914
24 C1b C 14.4631 -18.7677
25 C1b C 13.2482 -19.4633
26 C1b C 13.2431 -20.8633
27 O2a O 14.4860 -21.5869
28 C1b C 15.7010 -20.8913
29 O2a O 12.0383 -18.7590
30 C1b C 10.8233 -19.4546
31 O2a O 10.8182 -20.8546
32 C1b C 12.0281 -21.5589
33 C1b C 9.6134 -18.7502
34 O2a O 8.3985 -19.4458
35 C1b C 8.3934 -20.8458
36 C1b C 9.6033 -21.5502
37 C1b C 16.8817 -21.5783
38 O2a O 18.0954 -20.8829
39 C1b C 19.3207 -21.5963
40 C1b C 20.5206 -20.9099
41 O2a O 21.7310 -21.6150
42 C1a C 22.9163 -20.9367
BOND 46
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1 #Down
10 4 11 1
11 5 12 2
12 6 13 1
13 6 14 1
14 7 15 1 #Up
15 8 16 1
16 12 17 1
17 12 18 1
18 15 19 1
19 5 10 1
20 7 13 1
21 11 16 1
22 14 17 2
23 15 20 1
24 1 21 1 #Up
25 21 20 1
26 18 22 1
27 11 23 1 #Down
28 23 24 1
29 24 25 1
30 26 27 1
31 27 28 1
32 25 29 1
33 29 30 1
34 31 32 1
35 26 32 1
36 30 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 31 36 1
41 28 37 1
42 37 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 41 42 1
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