| Entry |
|
|---|
| Name |
Fluocortolone 21-pivalate;
Fluocortolone pivalate;
Ultradil (TN) |
|---|
| Formula |
C27H37FO5
|
|---|
| Exact mass |
460.2625
|
|---|
| Mol weight |
460.5781
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory, Glucocorticoid receptor agonist |
|---|
| Comment |
Prednisolone [DR: D00427] derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C05 VASOPROTECTIVES
C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
C05AA Corticosteroids
C05AA08 Fluocortolone
D07973 Fluocortolone 21-pivalate
D DERMATOLOGICALS
D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A CORTICOSTEROIDS, PLAIN
D07AC Corticosteroids, potent (group III)
D07AC05 Fluocortolone
D07973 Fluocortolone 21-pivalate
D07X CORTICOSTEROIDS, OTHER COMBINATIONS
D07XC Corticosteroids, potent, other combinations
D07XC05 Fluocortolone
D07973 Fluocortolone 21-pivalate
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 CORTICOSTEROIDS FOR SYSTEMIC USE
H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AB Glucocorticoids
H02AB03 Fluocortolone
D07973 Fluocortolone 21-pivalate
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00295 Fluocortolone
D07973 Fluocortolone 21-pivalate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D07973 Fluocortolone 21-pivalate
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00295 Fluocortolone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C2x C 19.9500 -18.6200
2 C5x C 19.9500 -19.9500
3 C2x C 21.1400 -20.6500
4 C2y C 22.3300 -19.9500
5 C1z C 22.3300 -18.6200
6 C2x C 21.1400 -17.9200
7 C1y C 23.5900 -20.6500
8 C1x C 24.7100 -19.9500
9 C1y C 24.7100 -18.6200
10 C1y C 23.5900 -17.9200
11 C1y C 25.9000 -17.9200
12 C1z C 25.9000 -16.5900
13 C1x C 24.7100 -15.8900
14 C1y C 23.5900 -16.5900
15 O5x O 18.8300 -20.6500
16 C1a C 22.3300 -17.2900
17 O1a O 22.3300 -15.8900
18 C1a C 25.9000 -15.1900
19 X F 23.5900 -22.0500
20 C1x C 28.2800 -17.9200
21 C1y C 28.2800 -16.5900
22 C1y C 27.0900 -15.8900
23 C1a C 29.4700 -15.8900
24 C5a C 27.0900 -14.4900
25 O5a O 25.9000 -13.7900
26 C1b C 28.2800 -13.7900
27 O7a O 29.4700 -14.4200
28 C7a C 30.6559 -13.6760
29 C1d C 31.8855 -14.3268
30 O6a O 30.6034 -12.2511
31 C1a C 33.0980 -15.0268
32 C1a C 32.5612 -13.1054
33 C1a C 31.2064 -15.5545
BOND 36
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 2 15 2
18 5 16 1 #Up
19 14 17 1 #Up
20 12 18 1 #Up
21 7 19 1 #Down
22 11 20 1
23 20 21 1
24 21 22 1
25 12 22 1
26 21 23 1 #Down
27 22 24 1 #Up
28 24 25 2
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 28 30 2
34 29 31 1
35 29 32 1
36 29 33 1
|
|---|
