| Entry |
|
|---|
| Name |
Levocetirizine (USAN/INN);
Xazal (TN) |
|---|
| Formula |
C21H25ClN2O3
|
|---|
| Exact mass |
388.1554
|
|---|
| Mol weight |
388.8878
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG01108): | D08118<JP/US> |
|
|---|
| Efficacy |
Antiallergic, H1 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| 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
R06AE Piperazine derivatives
R06AE09 Levocetirizine
D07402 Levocetirizine (USAN/INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01108 Levocetirizine
D07402 Levocetirizine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01108 Levocetirizine
D07402 Levocetirizine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D07402 Levocetirizine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07402
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01108 Levocetirizine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01108 Levocetirizine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 27
1 C8x C 22.6800 -20.9300
2 C8y C 22.6800 -22.3300
3 C8x C 23.9400 -23.0300
4 C8x C 25.1300 -22.3300
5 C8y C 25.1300 -20.9300
6 C8x C 23.9400 -20.2300
7 C8x C 27.5800 -22.3300
8 C8y C 27.5800 -20.9300
9 C1c C 26.3200 -20.2300
10 C8x C 28.7700 -23.0300
11 C8x C 29.9600 -22.3300
12 C8x C 29.9600 -20.9300
13 C8x C 28.7700 -20.2300
14 N1y N 26.3200 -18.8300
15 C1x C 27.5800 -18.1300
16 C1x C 27.5800 -16.7300
17 N1y N 26.3200 -15.9600
18 C1x C 25.1300 -16.7300
19 C1x C 25.1300 -18.1300
20 X Cl 21.4900 -23.0300
21 C1b C 26.3200 -14.5600
22 C1b C 27.5800 -13.8600
23 O2a O 28.7700 -14.5600
24 C1b C 29.9600 -13.9300
25 C6a C 31.1500 -14.5600
26 O6a O 32.3400 -13.9300
27 O6a O 31.1500 -16.0300
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 9 8 1 #Down
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 2 20 1
23 17 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 25 27 2
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