| Entry |
|
|---|
| Name |
Otenabant (USAN/INN) |
|---|
| Formula |
C25H25Cl2N7O
|
|---|
| Exact mass |
509.1498
|
|---|
| Mol weight |
510.4183
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiobesity, Cannabinoid receptor inverse agonist |
|---|
| Comment |
Treatment of obesity
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
CNR1
D09362 Otenabant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8y C 12.0400 -21.3500
2 N4y N 12.0400 -22.7500
3 C8y C 13.3700 -23.1700
4 C8y C 14.2100 -22.0500
5 N5x N 13.3700 -20.9300
6 C8y C 10.9200 -20.5100
7 C8y C 10.9200 -23.5900
8 C8x C 8.4700 -19.1100
9 C8x C 8.4700 -20.5100
10 C8x C 9.6600 -21.2100
11 C8y C 10.9200 -19.1100
12 C8x C 9.6600 -18.4100
13 X Cl 12.1100 -18.4100
14 C8x C 8.4700 -23.5900
15 C8y C 8.4700 -24.9900
16 C8x C 9.6600 -25.6900
17 C8x C 10.9200 -24.9900
18 C8x C 9.6600 -22.8900
19 X Cl 7.2547 -25.6851
20 N5x N 13.9199 -24.4575
21 C8x C 15.3099 -24.6249
22 N5x N 16.1499 -23.5049
23 C8y C 15.5999 -22.2175
24 N1y N 16.4569 -21.0752
25 C1x C 17.8394 -21.2419
26 C1x C 18.6795 -20.1220
27 C1z C 18.1297 -18.8345
28 C1x C 16.7472 -18.6678
29 C1x C 15.9071 -19.7877
30 C5a C 17.5783 -17.5433
31 N1a N 16.1836 -17.3750
32 O5a O 18.4028 -16.4446
33 N1b N 19.5297 -18.8345
34 C1b C 20.2279 -20.0437
35 C1a C 21.6298 -20.0437
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 2
6 1 6 1
7 2 7 1
8 8 9 2
9 9 10 1
10 10 6 2
11 11 12 2
12 8 12 1
13 6 11 1
14 11 13 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 7 1
19 14 18 1
20 7 18 2
21 15 19 1
22 3 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 4 23 2
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 24 29 1
34 27 30 1
35 30 31 1
36 30 32 2
37 27 33 1
38 33 34 1
39 34 35 1
|
|---|
