| Entry |
|
|---|
| Name |
Ibuprofen trelamine (USAN);
Ibuprofen diethylaminoethyl ester |
|---|
| Formula |
C19H31NO2
|
|---|
| Exact mass |
305.2355
|
|---|
| Mol weight |
305.45
|
|---|
| Structure |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
|
|---|
| Remark |
| Product (DG00245): | D00126<JP/US> D01122<JP> D06606<JP/US> |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2C9 [HSA: 1559]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01E OTHER CARDIAC PREPARATIONS
C01EB Other cardiac preparations
C01EB16 Ibuprofen
D12597 Ibuprofen trelamine (USAN)
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CC Antiinflammatory products for vaginal administration
G02CC01 Ibuprofen
D12597 Ibuprofen trelamine (USAN)
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE Propionic acid derivatives
M01AE01 Ibuprofen
D12597 Ibuprofen trelamine (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
D12597 Ibuprofen trelamine (USAN)
R RESPIRATORY SYSTEM
R02 THROAT PREPARATIONS
R02A THROAT PREPARATIONS
R02AX Other throat preparations
R02AX02 Ibuprofen
D12597 Ibuprofen trelamine (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00245 Ibuprofen
D12597 Ibuprofen trelamine
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00245 Ibuprofen
D12597 Ibuprofen trelamine
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D12597 Ibuprofen trelamine (USAN)
PTGS2 (COX2)
D12597 Ibuprofen trelamine (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12597
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 22
1 O7a O 23.4500 -15.1900
2 C7a C 22.2600 -15.8900
3 C1c C 21.0700 -15.1900
4 O6a O 22.2600 -17.2900
5 C8y C 19.8800 -15.8900
6 C8x C 18.6200 -15.1900
7 C8x C 17.4300 -15.8900
8 C8y C 17.4300 -17.2900
9 C8x C 18.6200 -17.9900
10 C8x C 19.8800 -17.2900
11 C1b C 16.2400 -17.9900
12 C1c C 14.9800 -17.2900
13 C1a C 13.7900 -17.9900
14 C1a C 14.9800 -15.8900
15 C1a C 21.0700 -13.7900
16 C1b C 24.6400 -15.8900
17 C1b C 25.8300 -15.1900
18 N1c N 27.0200 -15.8900
19 C1b C 28.2100 -15.1900
20 C1a C 29.4700 -15.8900
21 C1b C 27.0200 -17.2900
22 C1a C 28.2100 -18.0600
BOND 22
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 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 18 21 1
22 21 22 1
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