Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00276)
Name
Fingolimod
Synonyms    Click to Show/Hide the Synonyms of This API
Fingolimod; 162359-55-9; 2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol; 2-Amino-2-(4-octylphenethyl)propane-1,3-diol; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol; UNII-3QN8BYN5QF; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol; Fingolimod [INN]; 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-; Gilenya (TN); 3QN8BYN5QF; CHEMBL314854; CHEBI:63115; Fingolimod (INN); 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-; C19H33NO2; 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol; 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol; fingolimodum; FingoliMod Base; SCHEMBL7445; 2-(4-octylphenylethyl)-2-aminopropane-1,3-diol; FTY720/Fingolimod, Gilenia; GTPL2407; DTXSID40167363; HMS3743O13; BCP05969; ZINC1542002; 3674AH; ABP000245; ANW-53305; BDBM50158336; NSC755643; STL445699; AKOS015999594; DB05286; DB08868; NSC-755643; NCGC00188399-01; NCGC00188399-03; NCGC00188399-04; NCGC00188399-06; NCGC00188399-16; AC-25899; AK323625; AS-68987; HY-11063; DB-064455; FT-0660847; 2-(4-octylphenethyl)-2-aminopropane-1,3-diol; 2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol; Q425137; 2-amino-2-hydroxymethyl-4-(4-(octyl)phenyl)butanol; BRD-K88025533-003-01-7; 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol
Clinical Status
Approved
Disease Indication Multiple sclerosis ICD-11: 8A40 [1]
PubChem CID
107970
Formula
C19H33NO2
Canonical SMILES
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
InChI
1S/C19H33NO2/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
InChIKey
KKGQTZUTZRNORY-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=107970"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 307.5 Topological Polar Surface Area 66.5
XlogP 4.2 Complexity 258
Heavy Atom Count 22 Rotatable Bond Count 12
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Fingolimod 0.5 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Mannitol; Ferric oxide yellow; Titanium dioxide; Gelatin
                   Dosage Form Oral Capsule
                   Company Novartis Pharmaceuticals Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved fingolimod from the official website of the U.S. Food and Drug Administration.
2 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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