| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C23H20Cl2N4O2S
|
|---|
| Exact mass |
486.0684
|
|---|
| Mol weight |
487.4015
|
|---|
| Structure |
   |
|---|
| Class |
|
|---|
| 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
D09349 Ibipinabant (USAN/INN)
 |
|---|
| Other DBs |
|
|---|
| LinkDB |
 |
|---|
| KCF data |
ATOM 32
1 C1y C 21.7700 -22.1200
2 C2y C 21.7700 -23.5200
3 N2x N 23.1000 -23.9400
4 N1y N 23.9400 -22.8200
5 C1x C 23.1000 -21.7000
6 C8y C 20.6500 -24.3600
7 C8y C 20.6500 -21.2800
8 C8x C 18.2000 -19.8800
9 C8x C 18.2000 -21.2800
10 C8x C 19.3900 -21.9800
11 C8x C 20.6500 -19.8800
12 C8x C 19.3900 -19.1800
13 C8x C 18.2000 -24.3600
14 C8y C 18.2000 -25.7600
15 C8x C 19.3900 -26.4600
16 C8x C 20.6500 -25.7600
17 C8x C 19.3900 -23.6600
18 X Cl 17.0100 -26.4600
19 C2c C 25.3400 -22.8200
20 N2b N 26.0400 -24.0100
21 N1b N 26.0351 -21.6047
22 C1a C 27.4397 -21.5989
23 S4a S 27.4400 -23.9986
24 C8y C 28.1548 -25.2138
25 C8x C 27.4670 -26.4276
26 C8x C 28.1768 -27.6344
27 C8y C 29.5768 -27.6230
28 C8x C 30.2646 -26.4091
29 C8x C 29.5547 -25.2024
30 X Cl 30.3065 -28.8645
31 O3c O 28.1252 -22.7892
32 O3c O 26.7449 -25.2253
BOND 35
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1
7 1 7 1 #Up
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 14 18 1
21 4 19 1
22 19 20 2
23 19 21 1
24 21 22 1
25 20 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 24 29 1
33 27 30 1
34 23 31 2
35 23 32 2
|
|---|
