| Entry |
|
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| Name |
Ulobetasol (INN);
Halobetasol |
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| Formula |
C22H27ClF2O4
|
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| Exact mass |
428.1566
|
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| Mol weight |
428.8972
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| Structure |
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| Simcomp |
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| Class |
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| Remark |
| Product (DG00421): | D04409<US> |
| Product (mixture): | D11932<US> |
|
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| Efficacy |
Anti-inflammatory, Glucocorticoid receptor agonist |
|---|
| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A CORTICOSTEROIDS, PLAIN
D07AC Corticosteroids, potent (group III)
D07AC21 Ulobetasol
D08660 Ulobetasol (INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00421 Halobetasol
D08660 Ulobetasol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D08660 Ulobetasol (INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00421 Halobetasol
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 C2x C 18.0324 -15.8634
2 C5x C 18.0324 -17.2667
3 C2x C 19.2252 -17.8981
4 C2y C 20.4180 -17.2667
5 C1z C 20.4180 -15.8634
6 C2x C 19.2252 -15.2320
7 C1y C 21.6107 -17.8981
8 C1x C 22.7333 -17.2667
9 C1y C 22.7333 -15.8634
10 C1z C 21.6107 -15.2320
11 C1y C 23.9261 -15.2320
12 C1z C 23.9261 -13.8287
13 C1x C 22.7333 -13.1973
14 C1y C 21.6107 -13.8287
15 X F 21.6107 -16.5650
16 X F 21.6107 -19.3014
17 C1a C 23.9261 -12.4956
18 O1a O 20.4180 -13.1973
19 C1a C 20.4180 -14.5303
20 O5x O 16.9099 -17.8981
21 C1x C 26.3509 -15.2320
22 C1y C 26.3509 -13.8287
23 C1z C 25.1385 -13.1287
24 C5a C 25.1191 -11.4432
25 O5a O 26.4519 -10.7416
26 C1b C 23.9962 -10.7416
27 X Cl 22.8736 -11.4432
28 O1a O 26.3509 -12.4287
29 C1a C 27.7032 -13.4664
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 10 15 1 #Down
18 7 16 1 #Down
19 12 17 1 #Up
20 14 18 1 #Up
21 5 19 1 #Up
22 2 20 2
23 11 21 1
24 21 22 1
25 22 23 1
26 12 23 1
27 24 25 2
28 24 26 1
29 26 27 1
30 23 24 1 #Up
31 23 28 1 #Down
32 22 29 1 #Up
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