| Entry |
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| Name |
Aminophylline hydrate (JP18) |
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| Formula |
(C7H8N4O2)2. C2H8N2. xH2O
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| Structure |
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| Simcomp |
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| Class |
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
|
|---|
| Remark |
| Therapeutic category: | 2115 |
| Product (DG01062): | D05429<JP> D11630<US> |
|
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| Efficacy |
Bronchodilator, Cardiotonic, Phosphodiesterase inhibitor |
|---|
| Disease |
|
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| Comment |
Xanthine derivative
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
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| Metabolism |
Enzyme: CYP1A2 [HSA: 1544]
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03DA Xanthines
R03DA05 Aminophylline
D05429 Aminophylline hydrate (JP18) <JP>
USP drug classification [BR:br08302]
Respiratory Tract/Pulmonary Agents
Phosphodiesterase Inhibitors, Airways Disease
Aminophylline
D05429 Aminophylline hydrate (JP18)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
211 Cardiotonics
2115 Caffeines
D05429 Aminophylline hydrate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
First-class OTC drugs
Inorganic and organic chemicals
Aminophylline
D05429 Aminophylline hydrate (JP18)
Drug groups [BR:br08330]
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
DG01062 Aminophylline
D05429 Aminophylline hydrate
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01062 Aminophylline
D05429 Aminophylline hydrate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA1
D05429 Aminophylline hydrate (JP18) <JP>
ADORA2B
D05429 Aminophylline hydrate (JP18) <JP>
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE
D05429 Aminophylline hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D05429 Aminophylline hydrate
D05429 Aminophylline injection
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05429
Drug groups [BR:br08330]
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
DG01062 Aminophylline
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01062 Aminophylline
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 31
1 C8y C 17.5000 -15.6800
2 C8y C 17.5000 -17.0800
3 C8y C 18.6900 -14.9800
4 N4x N 16.1000 -15.2600
5 N4y N 18.6900 -17.7800
6 N5x N 16.1700 -17.5000
7 N4y N 19.8800 -15.6800
8 O5x O 18.6900 -13.5800
9 C8x C 15.3300 -16.3800
10 C8y C 19.8800 -17.0800
11 C1a C 18.6900 -19.1800
12 C1a C 21.1400 -14.9800
13 O5x O 21.1400 -17.7800
14 C1b C 27.7200 -15.9600
15 C1b C 28.9100 -16.6600
16 N1a N 26.5300 -16.6600
17 N1a N 30.1700 -15.9600
18 O0 O 35.2100 -16.0300
19 C8y C 17.5000 -15.6800
20 C8y C 17.5000 -17.0800
21 N4y N 18.6900 -17.7800
22 C8y C 19.8800 -17.0800
23 O5x O 21.1400 -17.7800
24 N4y N 19.8800 -15.6800
25 C8y C 18.6900 -14.9800
26 O5x O 18.6900 -13.5800
27 C1a C 21.1400 -14.9800
28 C1a C 18.6900 -19.1800
29 N5x N 16.1700 -17.5000
30 C8x C 15.3300 -16.3800
31 N4x N 16.1000 -15.2600
BOND 31
1 14 15 1
2 14 16 1
3 15 17 1
4 1 2 2
5 1 3 1
6 1 4 1
7 2 5 1
8 2 6 1
9 3 7 1
10 3 8 2
11 4 9 1
12 5 10 1
13 5 11 1
14 7 12 1
15 10 13 2
16 6 9 2
17 7 10 1
18 19 20 2
19 19 25 1
20 19 31 1
21 20 21 1
22 20 29 1
23 25 24 1
24 25 26 2
25 31 30 1
26 21 22 1
27 21 28 1
28 24 27 1
29 22 23 2
30 29 30 2
31 24 22 1
BRACKET 1 14.4900 -19.8100 14.4900 -12.5300
1 22.4700 -12.5300 22.4700 -19.8100
1 2
ORIGINAL 1 1 2 5 10 13 7 3 8 12 11 6 9 4
REPEAT 1 19 20 21 22 23 24 25 26 27 28 29 30 31
2 33.1800 -16.8700 33.1800 -14.9800
2 36.1900 -14.9800 36.1900 -16.8700
2 x
ORIGINAL 2 18
REPEAT 2
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