| Entry |
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| Name |
|
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| Product |
|
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| Formula |
C25H31NO6
|
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| Exact mass |
441.2151
|
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| Mol weight |
441.5167
|
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| Structure |
   |
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| Simcomp |
 |
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| Class |
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
Metabolizing enzyme substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 (P-GP) substrate
|
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| Remark |
|
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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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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 CORTICOSTEROIDS FOR SYSTEMIC USE
H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AB Glucocorticoids
H02AB13 Deflazacort
D03671 Deflazacort (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D03671 Deflazacort (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D03671
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D03671
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C2x C 8.1200 -22.3300
2 C5x C 8.1200 -23.7300
3 C2x C 9.3324 -24.4300
4 C2y C 10.5449 -23.7300
5 C1z C 10.5449 -22.3300
6 C2x C 9.3324 -21.6300
7 C1x C 11.7573 -24.4300
8 C1x C 12.9697 -23.7300
9 C1y C 12.9697 -22.3300
10 C1y C 11.7573 -21.6300
11 C1y C 14.1822 -21.6300
12 C1z C 14.1822 -20.2300
13 C1x C 12.9697 -19.5300
14 C1y C 11.7573 -20.2300
15 C1x C 16.6070 -21.6300
16 C1y C 16.6070 -20.2300
17 C1z C 15.3946 -19.5300
18 O5x O 6.9076 -24.4300
19 C5a C 15.3946 -17.7800
20 O5a O 16.6111 -17.0777
21 C1b C 14.1862 -17.0823
22 O7a O 12.9927 -17.7716
23 C7a C 11.8044 -17.0855
24 C1a C 10.6137 -17.7732
25 O6a O 11.8042 -15.6802
26 C1a C 14.1822 -18.8300
27 O1a O 10.5469 -19.5312
28 C1a C 10.5449 -20.9300
29 O2x O 18.0070 -20.2300
30 N2x N 16.6070 -18.8300
31 C2y C 18.0070 -18.8300
32 C1a C 18.9884 -17.8485
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 2
22 17 19 1 #Up
23 19 20 2
24 19 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 23 25 2
29 12 26 1 #Up
30 14 27 1 #Up
31 5 28 1 #Up
32 16 29 1 #Down
33 17 30 1 #Down
34 30 31 2
35 31 29 1
36 31 32 1
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