| Entry |
|
|---|
| Name |
Cebranopadol (USAN/INN) |
|---|
| Formula |
C24H27FN2O
|
|---|
| Exact mass |
378.2107
|
|---|
| Mol weight |
378.48
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
|
|---|
| Efficacy |
Analgesic, Nociceptin receptor agonist, Opioid receptor agonist |
|---|
| Comment |
Treatment of pain
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
D10436 Cebranopadol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D10436 Cebranopadol (USAN/INN)
OPRL1
D10436 Cebranopadol (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 O2x O 25.4800 -24.7800
2 C1x C 25.4800 -26.1800
3 C1x C 26.6700 -26.8800
4 C8y C 27.9300 -26.1800
5 C8y C 27.9300 -24.7800
6 C1z C 26.6700 -24.0800
7 C8y C 29.2600 -26.6000
8 C8y C 30.0300 -25.4800
9 N4x N 29.2600 -24.3600
10 C8x C 31.4300 -25.4800
11 C8x C 32.1300 -26.6700
12 C8y C 31.4300 -27.8600
13 C8x C 30.0300 -27.8600
14 C1x C 27.8600 -23.3800
15 C1x C 27.8600 -21.9800
16 C1x C 25.4100 -23.3800
17 X F 32.1251 -29.0753
18 C1x C 25.3869 -21.9802
19 C1z C 26.6046 -21.2500
20 N1c N 27.7993 -20.5577
21 C8y C 25.3935 -20.5698
22 C1a C 29.0153 -21.2571
23 C1a C 27.7969 -19.1800
24 C8x C 25.3771 -19.1804
25 C8x C 24.1565 -18.4947
26 C8x C 22.9524 -19.2089
27 C8x C 22.9688 -20.5984
28 C8x C 24.1894 -21.2840
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 6 5 1 #Up
6 6 1 1 #Down
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 7 2
16 6 14 1
17 14 15 1
18 6 16 1
19 12 17 1
20 16 18 1
21 18 19 1
22 15 19 1
23 19 20 1 #Up
24 19 21 1 #Down
25 20 22 1
26 20 23 1
27 21 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 21 28 1
|
|---|
