| Entry |
|
|---|
| Name |
Emedastine (INN);
Emadine (TN) |
|---|
| Formula |
C17H26N4O
|
|---|
| Exact mass |
302.2107
|
|---|
| Mol weight |
302.4145
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
|
|---|
| Remark |
| Product (DG01144): | D02249<JP> |
|
|---|
| Efficacy |
Antiallergic, 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]
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01G DECONGESTANTS AND ANTIALLERGICS
S01GX Other antiallergics
S01GX06 Emedastine
D07890 Emedastine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Emedastine
D07890 Emedastine (INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01144 Emedastine
D07890 Emedastine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D07890 Emedastine (INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01144 Emedastine
|
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| Other DBs |
|
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| KCF data |
ATOM 22
1 C1x C 20.8600 -21.8400
2 C1x C 20.0200 -20.7200
3 C1x C 20.3700 -19.3900
4 N1y N 21.6300 -18.8300
5 N1y N 22.2600 -21.8400
6 C1x C 22.8900 -19.4600
7 C1x C 23.1700 -20.7900
8 C1a C 22.9600 -23.1000
9 C8y C 21.6300 -17.4300
10 N4y N 22.7500 -16.5900
11 C8y C 22.3300 -15.2600
12 C8y C 20.9300 -15.2600
13 N5x N 20.5100 -16.5900
14 C8x C 23.1000 -14.0700
15 C8x C 22.4000 -12.8100
16 C8x C 21.0000 -12.8100
17 C8x C 20.3000 -14.0700
18 C1b C 24.1500 -16.5900
19 C1b C 24.8500 -15.4000
20 O2a O 26.2500 -15.4000
21 C1b C 26.9500 -14.2100
22 C1a C 28.3500 -14.2100
BOND 24
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 5 8 1
9 4 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 9 13 2
15 11 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 12 17 2
20 10 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
|
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