U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Structure of FINGOLIMOD PHOSPHATE ESTER, (S)-

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

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
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]
Name Type Language
FINGOLIMOD PHOSPHATE ESTER, (S)-
Common Name English
1,3-PROPANEDIOL, 2-AMINO-2-(2-(4-OCTYLPHENYL)ETHYL)-, MONO(DIHYDROGEN PHOSPHATE) (ESTER), (2S)-
Systematic Name English
AML629
Code English
(S)-FTY 720P
Code English
(+)-(S)-FTY 720 PHOSPHATE
Code English
FINGOLIMOD P
Common Name English
1,3-PROPANEDIOL, 2-AMINO-2-(2-(4-OCTYLPHENYL)ETHYL)-, 1-(DIHYDROGEN PHOSPHATE), (2S)-
Systematic Name English
Code System Code Type Description
CAS
402616-26-6
Created by admin on Sat Dec 16 12:46:56 GMT 2023 , Edited by admin on Sat Dec 16 12:46:56 GMT 2023
PRIMARY
PUBCHEM
11452022
Created by admin on Sat Dec 16 12:46:56 GMT 2023 , Edited by admin on Sat Dec 16 12:46:56 GMT 2023
PRIMARY
FDA UNII
92YDM6122J
Created by admin on Sat Dec 16 12:46:56 GMT 2023 , Edited by admin on Sat Dec 16 12:46:56 GMT 2023
PRIMARY