| Entry |
|
|---|
| Name |
Zidometacin (USAN/INN) |
|---|
| Formula |
C19H16N4O4
|
|---|
| Exact mass |
364.1172
|
|---|
| Mol weight |
364.3547
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01899 Anti-inflammatory drug, indoleacetic acid derivatives
|
|---|
| Efficacy |
Anti-inflammatory, COX inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01899 Anti-inflammatory drug, indoleacetic acid derivatives
D06364 Zidometacin
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D06364 Zidometacin (USAN/INN)
PTGS2 (COX2)
D06364 Zidometacin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8y C 29.1900 -19.1100
2 C8y C 29.1900 -20.5800
3 C1a C 30.4500 -21.2800
4 C6a C 31.7800 -19.1100
5 C1b C 30.4500 -18.3400
6 C8y C 26.8800 -20.4400
7 C8y C 26.8800 -19.1100
8 N4y N 28.0000 -21.1400
9 C8x C 25.6900 -21.0700
10 C8x C 25.6900 -18.4100
11 C5a C 28.0000 -22.4700
12 C8x C 24.5000 -20.4400
13 C8y C 24.5000 -19.1100
14 C8y C 27.2300 -22.9600
15 O2a O 23.3100 -18.4100
16 C8x C 26.0400 -22.1900
17 C8x C 27.1600 -24.2900
18 C1a C 22.1900 -19.1100
19 C8x C 24.8500 -22.8900
20 C8x C 25.9700 -24.9200
21 C8y C 24.8500 -24.2200
22 N2b N 23.6600 -24.7800
23 O6a O 33.0400 -18.3400
24 O6a O 31.7800 -20.5800
25 O5a O 29.2600 -23.1000
26 N0 N 22.0977 -25.6323 #+
27 N2a N 20.5354 -26.5547 #-
BOND 29
1 2 3 1
2 6 7 2
3 6 8 1
4 6 9 1
5 7 1 1
6 7 10 1
7 8 2 1
8 8 11 1
9 9 12 2
10 10 13 2
11 11 14 1
12 13 15 1
13 14 16 2
14 14 17 1
15 15 18 1
16 16 19 1
17 17 20 2
18 19 21 2
19 21 22 1
20 12 13 1
21 20 21 1
22 4 5 1
23 4 23 1
24 5 1 1
25 4 24 2
26 1 2 2
27 11 25 2
28 22 26 2
29 26 27 2
|
|---|
