Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00618)
Name
Selegiline
Synonyms    Click to Show/Hide the Synonyms of This API
selegiline; L-Deprenalin; L-Deprenyl; (-)-selegiline; Eldepryl; 14611-51-9; Zelapar; Selegilinum; Selegilina; UNII-2K1V7GP655; Selegilinum [INN-Latin]; Selegilina [INN-Spanish]; N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine; CHEMBL972; CHEBI:9086; Carbex; 2K1V7GP655; Otrasel; (-)-Deprenil; selgene; Anipryl; (R)-N-Methyl-N-(1-phenylpropan-2-yl)prop-2-yn-1-amine; Zalapar; l-E 250; (R)-(-)-Selegiline; Selegene; Selegiline [USAN:INN:BAN]; (R)-(-)-N,alpha-Dimethyl-N-2-propinylphenethylamine; Emsam (TN); (R)-(-)-N-Methyl-N-(1-phenyl-2-propyl)-2-propinylamin; Benzeneethanamine, N,alpha-dimethyl-N-2-propynyl-, (R)-; Prestwick0_000552; Prestwick1_000552; Prestwick2_000552; Prestwick3_000552; Selegiline (USAN/INN); SCHEMBL22232; US8633208, Deprenyl; BSPBio_000623; BSPBio_001589; SPBio_002544; (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine; BPBio1_000687; GTPL6639; DTXSID6023575; BDBM15579; Benzeneethanamine, N,alpha-methyl-N-2-propynyl-, (alphaR)-; HMS1791P11; HMS1989P11; HMS2089D09; HMS3402P11; (-)-(N)-Methyl-N-((1R)-1-methyl-2-phenylethyl)prop-2-yn-1-amine; STK640578; ZINC19632633; AKOS000281115; DB01037; NCGC00024994-01; NCGC00024994-02; NCGC00024994-03; NCGC00024994-04; C07245; D03731; (r)-(-)-n,2-dimethyl-n-2-propynylphenethylamine; BRD-K86434416-001-02-7; BRD-K86434416-003-03-1; BRD-K86434416-003-06-4; Q47495783; methyl[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-ylamine; methyl[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine; UNII-DPF682Q08V component MEZLKOACVSPNER-GFCCVEGCSA-N; UNII-DPF682Q08V component MEZLKOACVSPNER-LBPRGKRZSA-N; N-methyl-N-[(1R)-1-methyl-2-phenylethyl]prop-2-yn-1-amine; 102741-42-4; R(-)-Selegiline solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material
Clinical Status
Approved
Disease Indication Parkinsonism ICD-11: 8A00 [1]
PubChem CID
26757
Formula
C13H17N
Canonical SMILES
C[C@H](CC1=CC=CC=C1)N(C)CC#C
InChI
1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChIKey
MEZLKOACVSPNER-GFCCVEGCSA-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=26757"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 187.28 Topological Polar Surface Area 3.2
XlogP 2.8 Complexity 195
Heavy Atom Count 14 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Full List of Drug Formulations (DFMs) Containing This API
          Selegiline 5 mg capsule Click to Show/Hide the Full List of Formulation(s):          6 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
Anhydrous citric acid; Stearic acid; Anhydrous lactose; Butyl alcohol; Fd&c blue no. 1; Isopropyl alcohol; Ammonia; Ferrosoferric oxide; Potassium hydroxide; Propylene glycol; Talc; Titanium dioxide; Water; Alcohol; Cellulose, microcrystalline; Gelatin; Shellac
                   Dosage Form Oral Capsule
                   Company Apotex; Lake Eire Medical & Surgical Supply DBA Quality Care Products
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 1 DIG Info Solute carrier SLCO2B1 (Ki = 13 uM) [2]
Stearic acid DIG Info Phosphodiesterase 3A (IC50 = 3.1 uM) [3]
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [4]
Isopropyl alcohol DIG Info Lymphoma P388/ADR cells (IC50 = 0.22 uM) [5]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [6]
             Drug Formulation 2 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
Anhydrous citric acid; Stearic acid; Anhydrous lactose; Butyl alcohol; Fd&c blue no. 1; Isopropyl alcohol; Ammonia; Ferrosoferric oxide; Potassium hydroxide; Propylene glycol; Talc; Titanium dioxide; Water; Alcohol; Cellulose, microcrystalline; Gelatin; Shellac
                   Dosage Form Oral Capsule
                   Company A-S Medication Solutions
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 1 DIG Info Solute carrier SLCO2B1 (Ki = 13 uM) [2]
Stearic acid DIG Info Phosphodiesterase 3A (IC50 = 3.1 uM) [3]
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [4]
Isopropyl alcohol DIG Info Lymphoma P388/ADR cells (IC50 = 0.22 uM) [5]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [6]
             Drug Formulation 3 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
Anhydrous citric acid; Lactose; Magnesium stearate; Cellulose, microcrystalline
                   Dosage Form Oral Capsule
                   Company Somerset Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [4]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [8]
             Drug Formulation 4 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
Anhydrous citric acid; Lactose, unspecified form; Magnesium stearate; Cellulose, microcrystalline
                   Dosage Form Oral Capsule
                   Company Mylan Pharamceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [4]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [8]
             Drug Formulation 5 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
Lactose; Magnesium stearate; Citric acid monohydrate; Ferric oxide red; Titanium dioxide; Cellulose, microcrystalline; Gelatin
                   Dosage Form Oral Capsule
                   Company Golden State Medical Supply
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [8]
             Drug Formulation 6 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
Lactose; Magnesium stearate; Citric acid monohydrate; Cellulose, microcrystalline
                   Dosage Form Oral Capsule
                   Company Carilion Materials Management; Par Pharmaceutical
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [8]
          Selegiline 1.25 mg tablet 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
Aspartame; Mannitol; Citric acid monohydrate; Ferric oxide yellow; Glycerin; Gelatin
                   Dosage Form Disintegrating Oral Tablet
                   Company Valeant Pharmaceuticals
                   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) [7]
Aspartame DIG Info Pregnane X receptor (Ki = 13 uM) [3]
          Selegiline 5 mg tablet Click to Show/Hide the Full List of Formulation(s):          4 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
Stearic acid; Lactose monohydrate; Cellulose, microcrystalline
                   Dosage Form Oral Tablet
                   Company Mayne Pharma
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Stearic acid DIG Info Phosphodiesterase 3A (IC50 = 3.1 uM) [3]
             Drug Formulation 2 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
Lactose monohydrate; Magnesium stearate; Citric acid monohydrate; Talc; Povidone, unspecified; Starch, corn
                   Dosage Form Oral Tablet
                   Company Mylan Pharamceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [8]
             Drug Formulation 3 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
Anhydrous lactose; Magnesium stearate; Citric acid monohydrate; Cellulose, microcrystalline
                   Dosage Form Oral Tablet
                   Company Apotex
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [8]
             Drug Formulation 4 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
Anhydrous lactose; Magnesium stearate; Citric acid monohydrate; Microcrystalline cellulose
                   Dosage Form Oral Tablet
                   Company Golden State Medical Supply
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [8]
References
1 FDA label for approved selegiline from the official website of the U.S. Food and Drug Administration.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
3 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
4 PubChem BioAssay data set.
5 Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. J Med Chem. 2004 Mar 11; 47(6):1413-22.
6 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
7 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
8 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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