Entry |
|
Name |
Amfenac sodium (USAN); Amfenac sodium hydrate (JAN); Fenazox (TN) |
Formula |
C15H12NO3. Na. H2O
|
Exact mass |
295.0821
|
Mol weight |
295.2657
|
Structure |
|
Simcomp |
|
Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01898 Anti-inflammatory drug, phenylacetic acid derivatives
|
Remark |
|
Efficacy |
Analgesic, Anti-inflammatory |
Comment |
Phenylacetic acid derivative
|
Target |
|
Pathway |
|
Interaction |
|
Structure map |
|
Brite |
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01898 Anti-inflammatory drug, phenylacetic acid derivatives
DG01249 Amfenac
D01788 Amfenac sodium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D01788 Amfenac sodium (USAN)
PTGS2 (COX2)
D01788 Amfenac sodium (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01898 Anti-inflammatory drug, phenylacetic acid derivatives
DG01249 Amfenac
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 21
1 C8x C 7.2890 -13.4603
2 C8x C 7.2890 -14.8615
3 C8x C 8.5054 -15.5622
4 C8x C 9.7147 -14.8615
5 C8y C 9.7147 -13.4603
6 C8x C 8.5054 -12.7597
7 C5a C 10.9286 -12.7607
8 C8y C 12.1416 -13.4622
9 O5a O 10.9298 -11.3595
10 C8x C 12.1350 -14.8614
11 C8x C 13.3481 -15.5630
12 C8x C 14.5621 -14.8632
13 C8y C 14.5632 -13.4620
14 C8y C 13.3501 -12.7605
15 N1a N 13.3489 -11.3593
16 C1b C 15.7670 -12.7597
17 C6a C 16.9772 -13.4533
18 O6a O 18.1874 -12.7527 #-
19 O6a O 16.9802 -14.8546
20 Z Na 21.0890 -12.7527 #+
21 O0 O 26.0168 -13.3234
BOND 20
1 2 3 1
2 3 4 2
3 4 5 1
4 5 6 2
5 6 1 1
6 8 10 2
7 10 11 1
8 11 12 2
9 12 13 1
10 13 14 2
11 14 8 1
12 14 15 1
13 5 7 1
14 13 16 1
15 16 17 1
16 7 8 1
17 17 18 1
18 1 2 2
19 17 19 2
20 7 9 2
|