| Entry |
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| Name |
Ibuprofen aluminum (USAN) |
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| Formula |
C26H35AlO5
|
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| Exact mass |
454.23
|
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| Mol weight |
454.5346
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| Structure |
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| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
|
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| Remark |
| Product (DG00245): | D00126<JP/US> D01122<JP> D06606<JP/US> |
|
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| Efficacy |
Anti-inflammatory, COX inhibitor |
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| Comment |
Propionic acid derivative
|
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP2C9 [HSA: 1559]
|
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| Interaction |
|
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01E OTHER CARDIAC PREPARATIONS
C01EB Other cardiac preparations
C01EB16 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CC Antiinflammatory products for vaginal administration
G02CC01 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE Propionic acid derivatives
M01AE01 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02AA Antiinflammatory preparations, non-steroids for topical use
M02AA13 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
R RESPIRATORY SYSTEM
R02 THROAT PREPARATIONS
R02A THROAT PREPARATIONS
R02AX Other throat preparations
R02AX02 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00245 Ibuprofen
D04490 Ibuprofen aluminum
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00245 Ibuprofen
D04490 Ibuprofen aluminum
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D04490 Ibuprofen aluminum (USAN)
PTGS2 (COX2)
D04490 Ibuprofen aluminum (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D04490
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00245 Ibuprofen
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00245 Ibuprofen
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 O7a O 27.5800 -8.1200
2 C7a C 26.3900 -8.8200
3 C1c C 25.2000 -8.1200
4 O6a O 26.3900 -10.2200
5 C8y C 24.0100 -8.8200
6 C8x C 22.7500 -8.1200
7 C8x C 21.5600 -8.8200
8 C8y C 21.5600 -10.2200
9 C8x C 22.7500 -10.9200
10 C8x C 24.0100 -10.2200
11 C1b C 20.3700 -10.9200
12 C1c C 19.1100 -10.2200
13 C1a C 17.9200 -10.9200
14 C1a C 19.1100 -8.8200
15 C1a C 25.2000 -6.7200
16 Z Al 28.7981 -8.8101
17 O7a O 30.2400 -8.1900
18 C7a C 31.4300 -8.8900
19 C1c C 32.6200 -8.1900
20 O6a O 31.4300 -10.2900
21 C8y C 33.8100 -8.8900
22 C8x C 35.0700 -8.1900
23 C8x C 36.2600 -8.8900
24 C8y C 36.2600 -10.2900
25 C8x C 35.0700 -10.9900
26 C8x C 33.8100 -10.2900
27 C1b C 37.4500 -10.9900
28 C1c C 38.7100 -10.2900
29 C1a C 39.9000 -10.9900
30 C1a C 38.7100 -8.8900
31 C1a C 32.6200 -6.7900
32 O1a O 28.7912 -10.2191
BOND 33
1 2 4 2
2 3 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 8 9 1
7 9 10 2
8 10 5 1
9 8 11 1
10 1 2 1
11 11 12 1
12 12 13 1
13 2 3 1
14 12 14 1
15 3 15 1
16 1 16 1
17 18 20 2
18 19 21 1
19 21 22 2
20 22 23 1
21 23 24 2
22 24 25 1
23 25 26 2
24 26 21 1
25 24 27 1
26 17 18 1
27 27 28 1
28 28 29 1
29 18 19 1
30 28 30 1
31 19 31 1
32 16 17 1
33 16 32 1
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