| Entry |
|
|---|
| Name |
Cetirizine (INN);
Cetiderm (TN) |
|---|
| Formula |
C21H25ClN2O3
|
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| Exact mass |
388.1554
|
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| 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
Transporter substrate
DG01665 ABCB1 substrate
DG02854 SLC22A2 substrate
Transporter inhibitor
DG02863 SLC22A2 inhibitor
|
|---|
| Remark |
| Product (DG01107): | D00664<JP/US> |
|
|---|
| Efficacy |
Antiallergic, H1 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243], SLC22A2 [HSA: 6582]
|
|---|
| Interaction |
Transporter inhibition: SLC22A2 [HSA: 6582]
|
|---|
| 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
R06AE07 Cetirizine
D07662 Cetirizine (INN)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01G DECONGESTANTS AND ANTIALLERGICS
S01GX Other antiallergics
S01GX12 Cetirizine
D07662 Cetirizine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Cetirizine
D07662 Cetirizine (INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01107 Cetirizine
D07662 Cetirizine
Transporter substrate
DG01665 ABCB1 substrate
DG01107 Cetirizine
D07662 Cetirizine
DG02854 SLC22A2 substrate
DG01107 Cetirizine
D07662 Cetirizine
Transporter inhibitor
DG02863 SLC22A2 inhibitor
DG01107 Cetirizine
D07662 Cetirizine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D07662 Cetirizine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D07662
Drug groups [BR:br08330]
Anti-allergic agent
DG01557 Histamine receptor antagonist
DG01482 Histamine receptor H1 antagonist
DG01107 Cetirizine
Transporter substrate
DG01665 ABCB1 substrate
DG01107 Cetirizine
DG02854 SLC22A2 substrate
DG01107 Cetirizine
Transporter inhibitor
DG02863 SLC22A2 inhibitor
DG01107 Cetirizine
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8x C 19.9500 -20.4400
2 C8y C 19.9500 -21.8400
3 C8x C 21.2100 -22.5400
4 C8x C 22.4000 -21.8400
5 C8y C 22.4000 -20.4400
6 C8x C 21.2100 -19.7400
7 C8x C 24.8500 -21.8400
8 C8y C 24.8500 -20.4400
9 C1c C 23.5900 -19.7400
10 C8x C 26.0400 -22.5400
11 C8x C 27.2300 -21.8400
12 C8x C 27.2300 -20.4400
13 C8x C 26.0400 -19.7400
14 N1y N 23.5900 -18.3400
15 C1x C 24.8500 -17.6400
16 C1x C 24.8500 -16.2400
17 N1y N 23.5900 -15.4700
18 C1x C 22.4000 -16.2400
19 C1x C 22.4000 -17.6400
20 X Cl 18.7600 -22.5400
21 C1b C 23.5900 -14.0700
22 C1b C 24.8500 -13.3700
23 O2a O 26.0400 -14.0700
24 C1b C 27.2300 -13.4400
25 C6a C 28.4200 -14.0700
26 O6a O 29.6100 -13.4400
27 O6a O 28.4200 -15.5400
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 8 9 1
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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