| Entry |
|
|---|
| Name |
Abecarnil (INN) |
|---|
| Formula |
C24H24N2O4
|
|---|
| Exact mass |
404.1736
|
|---|
| Mol weight |
404.46
|
|---|
| Structure |
|
|---|
| Efficacy |
Antianxiety |
|---|
| Comment |
carboline derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Structure map |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D02594 Abecarnil (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 19.4600 -15.2600
2 C8x C 19.4600 -16.6600
3 C8x C 20.6724 -17.3600
4 C8y C 21.8849 -16.6600
5 C8y C 21.8849 -15.2600
6 C8x C 20.6724 -14.5600
7 N4x N 23.2164 -17.0926
8 C8y C 24.0393 -15.9600
9 C8y C 23.2164 -14.8274
10 C8x C 25.4316 -15.8137
11 N5x N 26.0010 -14.5347
12 C8y C 25.1781 -13.4021
13 C8y C 23.7858 -13.5484
14 C1b C 22.9827 -12.4433
15 O2a O 21.5662 -12.5921
16 C1a C 20.7450 -11.4617
17 C7a C 25.7629 -12.0881
18 O7a O 27.1499 -11.9422
19 O6a O 24.9492 -10.9687
20 C1c C 27.9897 -13.0976
21 C1a C 29.3930 -12.9499
22 C1a C 27.4251 -14.3665
23 O2a O 18.2476 -14.5600
24 C1b C 17.0521 -15.2504
25 C8y C 15.8647 -14.5649
26 C8x C 15.8646 -13.1602
27 C8x C 14.6521 -12.4603
28 C8x C 13.4397 -13.1605
29 C8x C 13.4399 -14.5652
30 C8x C 14.6524 -15.2651
BOND 33
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 9 13 2
16 13 14 1
17 14 15 1
18 15 16 1
19 12 17 1
20 17 18 1
21 17 19 2
22 18 20 1
23 20 21 1
24 20 22 1
25 1 23 1
26 23 24 1
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
|
|---|
