Entry |
|
Name |
Proglumetacin (INN); Bruxel (TN) |
Formula |
C46H58ClN5O8
|
Exact mass |
843.3974
|
Mol weight |
844.4344
|
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
|
Remark |
Product (DG00750): | D01765<JP> |
|
Efficacy |
Analgesic, Anti-inflammatory, COX inhibitor |
Comment |
Indole acetic acid derivative
|
Target |
|
Pathway |
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AB Acetic acid derivatives and related substances
M01AB14 Proglumetacin
D08427 Proglumetacin (INN)
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
DG00750 Proglumetacin
D08427 Proglumetacin
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D08427 Proglumetacin (INN)
PTGS2 (COX2)
D08427 Proglumetacin (INN)
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
DG00750 Proglumetacin
|
Other DBs |
|
KCF data |
ATOM 60
1 C8y C 14.8400 -17.2900
2 C8y C 14.8400 -18.7600
3 C1a C 16.1000 -19.4600
4 C7a C 17.3600 -17.3600
5 C1b C 16.1000 -16.5900
6 C8y C 12.5300 -18.6200
7 C8y C 12.5300 -17.2900
8 N4y N 13.6500 -19.3200
9 C8x C 11.3400 -19.3200
10 C8x C 11.3400 -16.6600
11 C8x C 10.2200 -18.6200
12 C8y C 10.2200 -17.2900
13 O2a O 9.0300 -16.6600
14 C1a C 7.9100 -17.3600
15 O7a O 18.6200 -16.5900
16 C1b C 19.8800 -17.3600
17 C1b C 21.0700 -16.5900
18 N1y N 22.3300 -17.3600
19 C1x C 22.3300 -18.7600
20 C1x C 23.5900 -19.5300
21 N1y N 24.8500 -18.7600
22 C1x C 24.8500 -17.3600
23 C1x C 23.5900 -16.5900
24 C1b C 26.0400 -19.4600
25 C1b C 27.2300 -18.7600
26 C1b C 28.4200 -19.4600
27 O7a O 29.6100 -18.7600
28 C7a C 30.8000 -19.4600
29 C1b C 31.9900 -18.7600
30 C1b C 33.1800 -19.4600
31 C1c C 34.3700 -18.7600
32 C5a C 35.5600 -19.4600
33 N1c N 36.8200 -18.7600
34 C1b C 38.0100 -19.4600
35 C1b C 39.2000 -18.7600
36 O6a O 30.8000 -20.8600
37 N1b N 34.3700 -17.4300
38 C5a C 33.1800 -16.7300
39 C8y C 33.1800 -15.3300
40 C8x C 34.3700 -14.6300
41 C8x C 34.3700 -13.3000
42 C8x C 33.1800 -12.6000
43 C8x C 31.9900 -13.3000
44 C8x C 31.9900 -14.6300
45 O5a O 31.9900 -17.4300
46 O5a O 35.5600 -20.8600
47 C1a C 40.3900 -19.4600
48 C1b C 36.8200 -17.4300
49 C1b C 38.0100 -16.7300
50 C1a C 38.0100 -15.3300
51 O6a O 17.3600 -18.6900
52 C5a C 13.6500 -20.6500
53 C8y C 12.5300 -21.2800
54 C8x C 11.3400 -20.5800
55 C8x C 10.0800 -21.2800
56 C8y C 10.0800 -22.6800
57 C8x C 11.3400 -23.3800
58 C8x C 12.5300 -22.6800
59 X Cl 8.9600 -23.3800
60 O5a O 14.9800 -21.2800
BOND 64
1 25 26 1
2 9 11 2
3 26 27 1
4 10 12 2
5 27 28 1
6 28 29 1
7 29 30 1
8 12 13 1
9 30 31 1
10 31 32 1
11 32 33 1
12 13 14 1
13 33 34 1
14 34 35 1
15 28 36 2
16 31 37 1
17 37 38 1
18 11 12 1
19 38 39 1
20 4 5 1
21 4 15 1
22 5 1 1
23 39 40 2
24 40 41 1
25 41 42 2
26 42 43 1
27 43 44 2
28 44 39 1
29 38 45 2
30 15 16 1
31 32 46 2
32 35 47 1
33 16 17 1
34 33 48 1
35 1 2 2
36 48 49 1
37 17 18 1
38 49 50 1
39 2 3 1
40 6 7 2
41 6 8 1
42 6 9 1
43 7 1 1
44 18 19 1
45 19 20 1
46 20 21 1
47 21 22 1
48 22 23 1
49 23 18 1
50 7 10 1
51 21 24 1
52 8 2 1
53 24 25 1
54 4 51 2
55 8 52 1
56 52 53 1
57 53 54 2
58 54 55 1
59 55 56 2
60 56 57 1
61 57 58 2
62 53 58 1
63 56 59 1
64 52 60 2
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