FINGOLIMOD HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2010)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: G926EC510T
Parent Compound: FINGOLIMOD

Structure
InChI Key SWZTYAVBMYWFGS-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Sphingosine 1-phosphate receptor agonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) EDG receptor
3000 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
20.37
General disorders and administration site conditions
11.93
Investigations
9.32
Musculoskeletal and connective tissue disorders
6.69
Psychiatric disorders
6.44
Skin and subcutaneous tissue disorders
5.0
Respiratory, thoracic and mediastinal disorders
4.91
Gastrointestinal disorders
4.83
Cardiac disorders
4.49
Injury, poisoning and procedural complications
4.2
Infections and infestations
3.92
Eye disorders
3.88
Vascular disorders
3.81

Cross References

Resources Reference
ChEBI 63112
ChEMBL CHEMBL544665
EPA CompTox DTXSID00167364
FDA SRS G926EC510T
PubChem 107969
SureChEMBL SCHEMBL81362
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