Entry |
|
Name |
Homochlorcyclizine hydrochloride (JP18); Homochlorcyclizine dihydrochloride; SA 97 dihydrochloride; Homoclomin (TN) |
Formula |
C19H23ClN2. 2HCl
|
Exact mass |
386.1083
|
Mol weight |
387.77
|
Structure |
|
Simcomp |
|
Class |
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
|
Remark |
|
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 |
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01328 Homochlorcyclizine
D01460 Homochlorcyclizine hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D01460 Homochlorcyclizine hydrochloride (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01460 Homochlorcyclizine hydrochloride
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01328 Homochlorcyclizine
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 24
1 X Cl 30.8000 -16.9400
2 C1x C 21.5600 -14.8400
3 C1x C 21.4200 -13.5100
4 C1x C 22.3300 -12.3900
5 N1y N 23.8000 -12.6000
6 N1y N 22.7500 -15.6100
7 C1x C 24.5000 -13.7200
8 C1x C 24.0800 -15.1200
9 C1a C 24.5000 -11.4100
10 C8y C 21.4900 -17.6400
11 C1c C 22.7500 -17.0100
12 C8y C 24.0100 -17.7100
13 C8x C 24.0100 -19.1800
14 C8x C 25.1300 -19.8800
15 C8y C 26.3900 -19.1800
16 C8x C 26.3900 -17.7800
17 C8x C 25.2000 -17.0800
18 C8x C 20.3000 -16.9400
19 C8x C 19.1100 -17.6400
20 C8x C 19.1100 -18.9700
21 C8x C 20.3000 -19.6700
22 C8x C 21.4900 -19.0400
23 X Cl 27.5800 -19.9500
24 X Cl 30.8000 -16.9400
BOND 24
1 4 5 1
2 2 6 1
3 5 7 1
4 3 4 1
5 6 8 1
6 2 3 1
7 7 8 1
8 5 9 1
9 10 11 1
10 6 11 1
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 12 17 1
18 10 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 10 22 1
24 15 23 1
BRACKET 1 29.2600 -17.7800 29.2600 -16.1000
1 31.7100 -16.1000 31.7100 -17.7800
1 2
ORIGINAL 1 1
REPEAT 1 24
|