| Entry |
|
|---|
| Name |
Selonabant (USAN) |
|---|
| Formula |
C22H24ClF3N2O2
|
|---|
| Exact mass |
440.1478
|
|---|
| Mol weight |
440.8864
|
|---|
| Structure |
|
|---|
| Efficacy |
Cannabinoid receptor antagonist |
|---|
| Comment |
Treatment of acute cannabinoid intoxication
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
CNR1
D12875 Selonabant (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 O2a O 20.3667 -12.6067
2 C1c C 21.5714 -11.9324
3 C8y C 21.5674 -10.5518
4 C8y C 22.7802 -12.6388
5 C8x C 23.9850 -11.9645
6 C8x C 25.1937 -12.6708
7 C8x C 25.1977 -14.0514
8 C8x C 23.9929 -14.7257
9 C8y C 22.7842 -14.0194
10 C8x C 20.3587 -9.8455
11 C8x C 20.3900 -8.4044
12 C8y C 21.5948 -7.7301
13 C8x C 22.8035 -8.4365
14 C8x C 22.8075 -9.8171
15 X Cl 21.5908 -6.3495
16 C1y C 19.1575 -11.9001
17 C1x C 18.8038 -10.5515
18 N1y N 17.4552 -10.9052
19 C1x C 17.8089 -12.2538
20 C5a C 16.2345 -10.1915
21 N1b N 15.0103 -10.8892
22 O5a O 16.2422 -8.8200
23 C1d C 13.7934 -10.1771
24 C1a C 12.5809 -9.4771
25 C1a C 13.0934 -11.3895
26 C1a C 14.4934 -8.9647
27 C1d C 21.5542 -14.7281
28 X F 20.3418 -15.4281
29 X F 20.8542 -13.5157
30 X F 22.2542 -15.9405
BOND 32
1 2 1 1 #Down
2 2 3 1
3 2 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 4 9 1
10 3 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 3 14 1
16 12 15 1
17 1 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 16 19 1
22 18 20 1
23 20 21 1
24 20 22 2
25 21 23 1
26 23 24 1
27 23 25 1
28 23 26 1
29 9 27 1
30 27 28 1
31 27 29 1
32 27 30 1
|
|---|
