| Entry |
|
|---|
| Name |
Doxylamine (INN) |
|---|
| Formula |
C17H22N2O
|
|---|
| Exact mass |
270.1732
|
|---|
| Mol weight |
270.3694
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiallergic, Sedative-hypnotic, H1 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07212 | Histamine H1 receptor antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R06 ANTIHISTAMINES FOR SYSTEMIC USE
R06A ANTIHISTAMINES FOR SYSTEMIC USE
R06AA Aminoalkyl ethers
R06AA09 Doxylamine
D07878 Doxylamine (INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01096 Doxylamine
D07878 Doxylamine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D07878 Doxylamine (INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01096 Doxylamine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 20
1 C1d C 23.5900 -18.2700
2 C8y C 22.4000 -18.9700
3 C8y C 24.8500 -18.9700
4 O2a O 23.5900 -16.8700
5 C8x C 22.4000 -20.3700
6 C8x C 21.1400 -18.3400
7 N5x N 26.1100 -18.2700
8 C8x C 24.8500 -20.3700
9 C1b C 24.7800 -16.1700
10 C8x C 21.2800 -21.1400
11 C8x C 19.9500 -19.0400
12 C8x C 27.3000 -19.0400
13 C8x C 26.0400 -21.1400
14 C8x C 19.9500 -20.5100
15 C8x C 27.3000 -20.4400
16 C1a C 22.4000 -17.5700
17 C1b C 25.9700 -16.8000
18 N1c N 27.1600 -16.1000
19 C1a C 28.3500 -16.8000
20 C1a C 27.0900 -14.7000
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 2
13 10 14 2
14 12 15 2
15 11 14 1
16 13 15 1
17 1 16 1
18 9 17 1
19 17 18 1
20 18 19 1
21 18 20 1
|
|---|
