| Entry |
|
|---|
| Name |
Tebufelone (USAN/INN) |
|---|
| Formula |
C20H28O2
|
|---|
| Exact mass |
300.2089
|
|---|
| Mol weight |
300.43
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dioxygenases
ALOX5
D06017 Tebufelone (USAN/INN)
Prostaglandin synthase
PTGS1 (COX1)
D06017 Tebufelone (USAN/INN)
PTGS2 (COX2)
D06017 Tebufelone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C8y C 25.0241 -16.0432
2 C8x C 25.0241 -17.4516
3 C8y C 26.2439 -18.1558
4 C8x C 27.4635 -17.4516
5 C8y C 27.4635 -16.0432
6 C8y C 26.2439 -15.3390
7 C1d C 23.8045 -15.3390
8 C1d C 28.6847 -15.3382
9 C1a C 29.9058 -16.0432
10 C1a C 28.6847 -13.9306
11 C1a C 22.5840 -16.0436
12 C1a C 23.8045 -13.9306
13 C5a C 26.2439 -19.5642
14 O1a O 26.2439 -14.0715
15 C1a C 29.9067 -14.6348
16 C1a C 22.5829 -14.6348
17 O5a O 25.0509 -20.2526
18 C1b C 27.4458 -20.2580
19 C1b C 28.6659 -19.5538
20 C1b C 29.8929 -20.2628
21 C3b C 31.1175 -19.5568
22 C3a C 32.3416 -20.2650
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 5 8 1
9 8 9 1
10 8 10 1
11 7 11 1
12 7 12 1
13 3 13 1
14 6 14 1
15 8 15 1
16 7 16 1
17 13 17 2
18 13 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 3
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|---|
