FINGOLIMOD HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII G926EC510T
EPA CompTox DTXSID00167364
Parent Compound: FINGOLIMOD

Structure

InChI Key SWZTYAVBMYWFGS-UHFFFAOYSA-N
Smiles CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl
InChI
InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H34ClNO2
Molecular Weight 343.94
AlogP 3.2
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Sphingosine 1-phosphate receptor agonist AGONIST DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- 6.1 - - -

Cross References

Resources Reference
ChEBI 63112
ChEMBL CHEMBL544665
FDA SRS G926EC510T
PubChem 107969
SureChEMBL SCHEMBL81362
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