| Entry |
|
|---|
| Name |
Rimonabant (JAN/USAN/INN);
Acomplia (TN) |
|---|
| Formula |
C22H21Cl3N4O
|
|---|
| Exact mass |
462.0781
|
|---|
| Mol weight |
463.78
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01705 Anoretic
DG01754 Cannabinoid receptor inverse agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiobesity, Smoking cessation adjunct, Cannabinoid receptor inverse agonist |
|---|
| Comment |
Treatment of obesity
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04723 | Retrograde endocannabinoid signaling |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A08 ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08A ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08AX Other antiobesity drugs
A08AX01 Rimonabant
D05731 Rimonabant (JAN/USAN/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01705 Anoretic
DG01754 Cannabinoid receptor inverse agonist
D05731 Rimonabant
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
CNR1
D05731 Rimonabant (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 N4y N 23.9424 -18.3039
2 C8y C 23.9424 -19.6996
3 C8y C 25.2684 -20.1184
4 C8y C 26.1058 -19.0018
5 N5x N 25.2684 -17.8851
6 C8y C 22.8258 -20.5371
7 C8y C 22.8258 -17.4664
8 C8y C 20.3832 -16.0706
9 C8x C 20.3832 -17.4664
10 C8x C 21.5696 -18.1643
11 C8y C 22.8258 -16.0706
12 C8x C 21.5696 -15.3727
13 C8x C 20.3832 -20.5371
14 C8y C 20.3832 -21.9329
15 C8x C 21.5696 -22.6308
16 C8x C 22.8258 -21.9329
17 C8x C 21.5696 -19.8392
18 X Cl 24.0287 -15.3628
19 X Cl 19.1715 -15.3776
20 X Cl 19.1715 -22.6259
21 C1a C 25.6951 -21.4473
22 C5a C 27.5016 -19.0018
23 O5a O 28.1995 -20.2105
24 N1b N 28.1995 -17.7930
25 N1y N 29.6099 -17.7931
26 C1x C 30.3042 -18.9958
27 C1x C 31.7042 -18.9958
28 C1x C 32.4043 -17.7834
29 C1x C 31.7100 -16.5808
30 C1x C 30.3100 -16.5807
BOND 33
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 1 5 1
6 2 6 1
7 1 7 1
8 8 9 2
9 9 10 1
10 10 7 2
11 7 11 1
12 11 12 2
13 8 12 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 6 1
18 6 17 2
19 13 17 1
20 11 18 1
21 8 19 1
22 14 20 1
23 3 21 1
24 4 22 1
25 22 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 25 30 1
|
|---|
