Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H34NO5P |
| Molecular Weight | 387.4507 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCCCCC1=CC=C(CC[C@](N)(CO)COP(O)(O)=O)C=C1
InChI
InChIKey=LRFKWQGGENFBFO-IBGZPJMESA-N
InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
| Molecular Formula | C19H34NO5P |
| Molecular Weight | 387.4507 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P21453 Gene ID: 1901.0 Gene Symbol: S1PR1 Target Organism: Homo sapiens (Human) |
2.1 nM [Ki] | ||
Target ID: Q99500 Gene ID: 1903.0 Gene Symbol: S1PR3 Target Organism: Homo sapiens (Human) |
5.9 nM [Ki] | ||
Target ID: O95977 Gene ID: 8698.0 Gene Symbol: S1PR4 Target Organism: Homo sapiens (Human) |
23.0 nM [Ki] | ||
Target ID: Q9H228 Gene ID: 53637.0 Gene Symbol: S1PR5 Target Organism: Homo sapiens (Human) |
2.2 nM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:46:56 UTC 2023
by
admin
on
Sat Dec 16 12:46:56 UTC 2023
|
| Record UNII |
92YDM6122J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
402616-26-6
Created by
admin on Sat Dec 16 12:46:56 UTC 2023 , Edited by admin on Sat Dec 16 12:46:56 UTC 2023
|
PRIMARY | |||
|
11452022
Created by
admin on Sat Dec 16 12:46:56 UTC 2023 , Edited by admin on Sat Dec 16 12:46:56 UTC 2023
|
PRIMARY | |||
|
92YDM6122J
Created by
admin on Sat Dec 16 12:46:56 UTC 2023 , Edited by admin on Sat Dec 16 12:46:56 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> AGONIST |
Phase2 clinical trial results of siponimod and ceralifimod suggest that S1P3 and S1P4 targeting are not needed for therapeutic efficacy.
|
||
|
TARGET -> AGONIST |
|
||
|
TARGET -> AGONIST |
Phase2 clinical trial results of siponimod and ceralifimod suggest that S1P3 and S1P4 targeting are not needed for therapeutic efficacy.
|
||
|
TARGET -> AGONIST |
Fingolimod-phosphate initially activates lymphocyte S1P1 via high-affinity receptor binding yet subsequently induces S1P1 down-regulation that prevents lymphocyte egress from lymphoid tissues, thereby reducing autoaggressive lymphocyte infiltration into the central nervous system (CNS).
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PRODRUG -> METABOLITE ACTIVE |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|
