Entry |
|
Name |
Nantradol hydrochloride (USAN) |
Formula |
C27H35NO4. HCl
|
Exact mass |
473.2333
|
Mol weight |
474.032
|
Structure |
|
Simcomp |
|
Efficacy |
Analgesic |
Comment |
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
hsa04723 | Retrograde endocannabinoid signaling |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
CNR1
D05117 Nantradol hydrochloride (USAN)
|
Other DBs |
|
KCF data |
ATOM 33
1 C1x C 40.5300 -26.9500
2 C1y C 40.5300 -28.3500
3 C1y C 41.7200 -29.0500
4 C1x C 42.9800 -28.3500
5 C1x C 42.9800 -26.9500
6 C1y C 41.7200 -26.2500
7 C8y C 39.3400 -29.0500
8 C8y C 39.3400 -30.4500
9 N1x N 40.5300 -31.1500
10 C1y C 41.7200 -30.4500
11 C8y C 38.0800 -28.3500
12 C8x C 36.8900 -29.0500
13 C8y C 36.8900 -30.4500
14 C8x C 38.0800 -31.1500
15 O1a O 41.7200 -24.8500
16 C1a C 42.9100 -31.1500
17 O7a O 38.0800 -26.9500
18 C7a C 36.8900 -26.2500
19 C1a C 35.7000 -26.9500
20 O6a O 36.8900 -24.8500
21 O2a O 35.7000 -31.1500
22 C1c C 34.5100 -30.4500
23 C1b C 33.3200 -31.1500
24 C1a C 34.5100 -29.0500
25 C1b C 32.1300 -30.4500
26 C1b C 30.9400 -31.1500
27 C8y C 29.7500 -30.4500
28 C8x C 29.7500 -29.0500
29 C8x C 28.4900 -28.3500
30 C8x C 27.3000 -29.0500
31 C8x C 27.3000 -30.4500
32 C8x C 28.4900 -31.1500
33 X Cl 47.4600 -28.5600
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 7 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 8 14 2
17 6 15 1 #Down
18 10 16 1 #Down
19 11 17 1
20 17 18 1
21 18 19 1
22 18 20 2
23 13 21 1
24 21 22 1
25 22 23 1
26 22 24 1
27 23 25 1
28 25 26 1
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 27 32 1
|