| Entry |
|
|---|
| Name |
Dorastine hydrochloride (USAN) |
|---|
| Formula |
C20H22ClN3. 2HCl
|
|---|
| Exact mass |
411.1036
|
|---|
| Mol weight |
412.78
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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
D03893 Dorastine hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C8y C 16.5900 -16.7300
2 C8y C 17.9900 -16.7300
3 C8y C 18.4100 -18.0600
4 N4y N 17.2900 -18.9000
5 C8y C 16.1700 -18.0600
6 C8x C 14.7700 -18.3400
7 C8x C 13.8600 -17.2900
8 C8y C 14.2800 -15.9600
9 C8x C 15.6800 -15.6800
10 C1x C 18.9700 -15.7500
11 N1y N 20.3000 -16.1000
12 C1x C 20.7200 -17.4300
13 C1x C 19.6700 -18.4100
14 C1a C 21.2656 -15.0863
15 C1b C 17.2900 -20.3000
16 C1b C 18.5024 -21.0000
17 C8y C 18.5025 -22.3998
18 C8x C 17.2733 -23.1098
19 N5x N 17.2735 -24.5098
20 C8y C 18.4861 -25.2096
21 C8x C 19.7153 -24.4996
22 C8x C 19.7151 -23.0996
23 C1a C 18.4862 -26.6000
24 X Cl 13.3452 -14.9178
25 X Cl 22.5400 -20.5100
26 X Cl 22.5400 -20.5100
BOND 27
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 2
7 6 7 1
8 7 8 2
9 8 9 1
10 1 9 2
11 2 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 3 1
16 11 14 1
17 4 15 1
18 15 16 1
19 16 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 20 23 1
27 8 24 1
BRACKET 1 20.9300 -21.2800 20.9300 -19.7400
1 23.5200 -19.7400 23.5200 -21.2800
1 2
ORIGINAL 1 25
REPEAT 1 26
|
|---|
