Entry |
|
Name |
Flumethasone pivalate (USP); Flumetasone pivalate (JAN/BAN); Locorten (TN) |
Formula |
C27H36F2O6
|
Exact mass |
494.248
|
Mol weight |
494.5679
|
Structure |
|
Simcomp |
|
Class |
|
Remark |
|
Efficacy |
Anti-inflammaotry, Glucocorticoid receptor agonist |
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A CORTICOSTEROIDS, PLAIN
D07AB Corticosteroids, moderately potent (group II)
D07AB03 Flumetasone
D01464 Flumethasone pivalate (USP)
D07X CORTICOSTEROIDS, OTHER COMBINATIONS
D07XB Corticosteroids, moderately potent, other combinations
D07XB01 Flumetasone
D01464 Flumethasone pivalate (USP)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00412 Flumetasone
D01464 Flumethasone pivalate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D01464 Flumethasone pivalate (USP)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00412 Flumetasone
|
Other DBs |
|
KCF data |
ATOM 35
1 C2x C 19.6000 -28.5600
2 C5x C 19.6000 -29.9600
3 C2x C 20.8600 -30.5900
4 C2y C 22.0500 -29.9600
5 C1z C 22.0500 -28.5600
6 C2x C 20.8600 -27.9300
7 C1y C 23.1700 -30.5900
8 C1x C 24.3600 -29.9600
9 C1y C 24.3600 -28.5600
10 C1z C 23.1700 -27.9300
11 C1y C 25.5500 -27.9300
12 C1z C 25.5500 -26.5300
13 C1x C 24.3600 -25.9000
14 C1y C 23.1700 -26.5300
15 C1x C 27.9300 -27.9300
16 C1y C 27.9300 -26.5300
17 C1z C 26.7400 -25.9000
18 C1a C 22.0500 -27.2300
19 O1a O 22.0500 -25.9000
20 C1a C 25.5500 -25.2000
21 C1a C 29.0500 -25.9000
22 C5a C 26.7400 -24.1500
23 X F 23.1700 -29.2600
24 O1a O 27.9300 -24.9900
25 O5x O 18.4100 -30.5900
26 O5a O 27.9300 -23.5200
27 X F 23.1000 -31.9900
28 C1b C 25.5406 -23.4279
29 O7a O 24.3135 -24.1066
30 C7a C 23.0850 -23.3672
31 C1d C 21.8663 -24.0417
32 O6a O 23.1104 -21.9800
33 C1a C 20.6333 -23.3002
34 C1a C 23.0787 -24.7417
35 C1a C 20.6538 -24.7417
BOND 38
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 5 18 1 #Up
22 14 19 1 #Up
23 12 20 1 #Up
24 16 21 1 #Down
25 17 22 1 #Up
26 10 23 1 #Down
27 17 24 1 #Down
28 2 25 2
29 22 26 2
30 7 27 1 #Down
31 22 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 30 32 2
36 31 33 1
37 31 34 1
38 31 35 1
|