| Entry |
|
|---|
| Name |
Tepoxalin (USAN/INN) |
|---|
| Formula |
C20H20ClN3O3
|
|---|
| Exact mass |
385.1193
|
|---|
| Mol weight |
385.8441
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antipsoriatic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dioxygenases
ALOX5
D06075 Tepoxalin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8x C 31.7270 -19.5007
2 C8y C 31.3260 -18.1477
3 C8y C 33.1273 -19.5406
4 N5x N 33.5980 -18.2213
5 N4y N 32.4886 -17.3659
6 C8y C 32.4587 -15.9632
7 C8x C 33.7615 -15.2976
8 C8x C 33.7317 -13.8925
9 C8y C 32.5348 -13.1552
10 C8x C 31.3020 -13.8208
11 C8x C 31.2619 -15.2259
12 O2a O 32.5743 -11.7638
13 C1a C 33.7828 -11.1110
14 C1b C 33.9160 -20.6936
15 C1b C 35.3159 -20.7266
16 C8y C 30.1109 -17.4457
17 C8x C 28.8953 -18.1469
18 C8x C 30.1114 -16.0423
19 C8x C 28.8963 -15.3403
20 C8y C 27.6807 -16.0414
21 C8x C 27.6802 -17.4448
22 C1a C 38.0669 -20.5967
23 X Cl 26.4978 -15.3583
24 C5a C 36.0536 -21.9303
25 N1c N 37.4536 -21.9303
26 O5a O 35.3773 -23.1378
27 O1b O 38.1440 -23.1259
BOND 29
1 1 2 2
2 1 3 1
3 3 4 2
4 4 5 1
5 2 5 1
6 5 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 6 11 1
13 9 12 1
14 12 13 1
15 3 14 1
16 14 15 1
17 2 16 1
18 16 17 1
19 16 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 17 21 2
24 20 23 1
25 15 24 1
26 24 25 1
27 24 26 2
28 25 27 1
29 25 22 1
|
|---|
