| Entry |
|
|---|
| Name |
Fingolimod lauryl sulfate;
Tascenso (TN) |
|---|
| Product |
|
|---|
| Formula |
C19H34NO2. C12H25O4S
|
|---|
| Exact mass |
573.4063
|
|---|
| Mol weight |
573.8683
|
|---|
| Structure |
|
|---|
| Class |
Metabolizing enzyme substrate
DG02980 CYP4F2 substrate
|
|---|
| Remark |
| Product (DG00741): | D04187<JP/US> D12549<US> |
|
|---|
| Efficacy |
Immunosuppressant, Sphingosine-1-phosphate receptor agonist |
|---|
| Disease |
Multiple sclerosis [DS: H01490] |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP4F2 [HSA: 8529]
|
|---|
| Interaction |
|
|---|
| Brite |
USP drug classification [BR:br08302]
Central Nervous System Agents
Multiple Sclerosis Agents
Fingolimod
D12549 Fingolimod lauryl sulfate
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02980 CYP4F2 substrate
DG00741 Fingolimod
D12549 Fingolimod lauryl sulfate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Sphingolipid
S1PR1
D12549 Fingolimod lauryl sulfate <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12549
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02980 CYP4F2 substrate
DG00741 Fingolimod
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8x C 19.1823 -16.3119
2 C8y C 19.1823 -17.7121
3 C8x C 20.4424 -18.4122
4 C8x C 21.6326 -17.7121
5 C8y C 21.6326 -16.3119
6 C8x C 20.4424 -15.6119
7 C1b C 22.8927 -15.6119
8 C1b C 24.0829 -16.3119
9 C1d C 25.2730 -15.6119
10 C1b C 26.5332 -16.3119
11 O1a O 27.7233 -15.6119
12 N1a N 24.0829 -14.9118 #+
13 C1b C 26.5332 -14.9118
14 O1a O 26.5332 -13.5116
15 C1b C 17.9921 -18.4122
16 C1b C 16.8020 -17.7121
17 C1b C 15.6119 -18.4122
18 C1b C 14.3517 -17.7121
19 C1b C 13.1616 -18.4122
20 C1b C 11.9714 -17.7121
21 C1b C 10.7813 -18.4122
22 C1a C 9.5911 -17.7121
23 C1b C 46.6201 -14.8081
24 C1b C 45.4274 -15.5097
25 C1b C 44.2347 -14.8081
26 C1b C 42.9719 -15.5097
27 C1b C 41.7792 -14.8081
28 C1b C 40.5865 -15.5097
29 C1b C 39.3939 -14.8081
30 C1b C 38.2012 -15.5097
31 C1b C 36.9384 -14.8081
32 C1b C 35.7457 -15.5097
33 C1b C 34.5530 -14.8081
34 O2a O 33.3603 -15.5097
35 C1a C 47.8829 -15.5097
36 S4a S 31.9572 -15.5097
37 O1d O 30.5540 -15.5097 #-
38 O1d O 31.9572 -14.1065
39 O1d O 31.9572 -16.9128
BOND 38
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 9 12 1
13 9 13 1
14 13 14 1
15 2 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 23 35 1
35 34 36 1
36 36 37 1
37 36 38 2
38 36 39 2
|
|---|
