Entry |
|
Name |
Methylprednisolone suleptanate (USAN/INN) |
Formula |
C33H48NO10S. Na
|
Exact mass |
673.2897
|
Mol weight |
673.7897
|
Structure |
|
Class |
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
Remark |
Product (DG00410): | D00407<JP/US> D00751<JP/US> D00979<JP/US> |
|
Efficacy |
Anti-inflammatory, Glucocorticoid receptor agonist |
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
Interaction |
|
Structure map |
map07225 | Glucocorticoid and mineralocorticoid receptor agonists/antagonists |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A CORTICOSTEROIDS, PLAIN
D07AA Corticosteroids, weak (group I)
D07AA01 Methylprednisolone
D05002 Methylprednisolone suleptanate (USAN/INN)
D10 ANTI-ACNE PREPARATIONS
D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AA Corticosteroids, combinations for treatment of acne
D10AA02 Methylprednisolone
D05002 Methylprednisolone suleptanate (USAN/INN)
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 CORTICOSTEROIDS FOR SYSTEMIC USE
H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AB Glucocorticoids
H02AB04 Methylprednisolone
D05002 Methylprednisolone suleptanate (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00410 Methylprednisolone
D05002 Methylprednisolone suleptanate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00410 Methylprednisolone
D05002 Methylprednisolone suleptanate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D05002 Methylprednisolone suleptanate (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05002
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00410 Methylprednisolone
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00410 Methylprednisolone
|
Other DBs |
|
KCF data |
ATOM 46
1 C2x C 23.5900 -36.8900
2 C5x C 23.5900 -38.2200
3 C2x C 24.7800 -38.9200
4 C2y C 25.9700 -38.2200
5 C1z C 25.9700 -36.8900
6 C2x C 24.7800 -36.1900
7 C1y C 27.0900 -38.9200
8 C1x C 28.2800 -38.2200
9 C1y C 28.2800 -36.8900
10 C1y C 27.0900 -36.1900
11 C1y C 29.4700 -36.1900
12 C1z C 29.4700 -34.8600
13 C1x C 28.2800 -34.1600
14 C1y C 27.0900 -34.8600
15 C1x C 31.8500 -36.1900
16 C1x C 31.8500 -34.8600
17 C1z C 30.6600 -34.1600
18 O5x O 22.4000 -38.9200
19 C1a C 25.9700 -35.4900
20 O1a O 25.9700 -34.1600
21 C1a C 29.4700 -33.4600
22 C5a C 30.6600 -32.4800
23 C1a C 27.0900 -40.2500
24 O1a O 31.8500 -33.4600
25 C1b C 31.8500 -31.7800
26 O5a O 29.4700 -31.7800
27 O7a O 32.9700 -32.4800
28 C7a C 34.0900 -31.7800
29 C1b C 35.2800 -32.4800
30 O6a O 34.0900 -30.4500
31 C1b C 36.4700 -31.7800
32 C1b C 37.7300 -32.4800
33 C1b C 38.9200 -31.7800
34 C1b C 40.1100 -32.4800
35 C1b C 41.3700 -31.7800
36 C5a C 42.5600 -32.4800
37 O5a O 42.5600 -33.8800
38 N1c N 43.7500 -31.8500
39 C1b C 44.9400 -32.6200
40 C1a C 43.7500 -30.4500
41 C1b C 46.1300 -31.9900
42 S4a S 47.3200 -32.6900
43 O1d O 48.5100 -33.3900 #-
44 O1d O 46.6200 -33.8800
45 O1d O 48.0200 -31.5000
46 Z Na 48.1600 -34.9300 #+
BOND 48
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 5 19 1 #Up
23 14 20 1 #Up
24 12 21 1 #Up
25 17 22 1 #Up
26 7 23 1 #Down
27 17 24 1 #Down
28 22 25 1
29 22 26 2
30 25 27 1
31 27 28 1
32 28 30 2
33 28 29 1
34 29 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 2
41 36 38 1
42 38 39 1
43 38 40 1
44 39 41 1
45 41 42 1
46 42 43 1
47 42 44 2
48 42 45 2
|