| Entry |
|
|---|
| Name |
Barmastine (USAN/INN) |
|---|
| Formula |
C27H29N7O2
|
|---|
| Exact mass |
483.2383
|
|---|
| Mol weight |
483.56
|
|---|
| Structure |
|
|---|
| Efficacy |
Antihistaminic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D03056 Barmastine (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 N4y N 4.2277 -10.8089
2 C8y C 4.2277 -12.2111
3 N5x N 5.4195 -12.9122
4 C8y C 6.6815 -12.2111
5 C8y C 6.6815 -10.8089
6 C8y C 5.4195 -10.1078
7 C1b C 7.8734 -10.1078
8 C1b C 9.1354 -10.8089
9 N1y N 10.3272 -10.1078
10 C1x C 11.5191 -10.8089
11 C1x C 12.7811 -10.1078
12 C1y C 12.7811 -8.7056
13 C1x C 11.5191 -8.0045
14 C1x C 10.3272 -8.7056
15 N1b N 13.9730 -8.0045
16 C8y C 15.1648 -8.7056
17 N5x N 15.5855 -10.0377
18 C8y C 16.9877 -10.0377
19 C8y C 17.4083 -8.7056
20 N4y N 16.2866 -7.8643
21 C8x C 17.9692 -11.0893
22 C8x C 19.3013 -10.7388
23 C8x C 19.7220 -9.4067
24 N5x N 18.8105 -8.4252
25 C1b C 16.2866 -6.4621
26 C8y C 17.5009 -5.7610
27 C8x C 3.0134 -10.1078
28 C8x C 1.7990 -10.8089
29 C8x C 1.7990 -12.2111
30 C8x C 3.0134 -12.9122
31 O5x O 5.4023 -8.7057
32 C1a C 7.8900 -12.9222
33 O2x O 18.8243 -6.1973
34 C8x C 19.6510 -5.0674
35 C8x C 18.8319 -3.9320
36 C8x C 17.4989 -4.3602
BOND 41
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 9 14 1
16 12 15 1
17 15 16 1
18 17 18 1
19 18 19 2
20 19 20 1
21 20 16 1
22 17 16 2
23 18 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 20 25 1
29 25 26 1
30 1 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 2 30 1
35 6 31 2
36 4 32 1
37 26 33 1
38 33 34 1
39 34 35 2
40 35 36 1
41 26 36 2
|
|---|
