Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00021)
Name
Almotriptan
Synonyms    Click to Show/Hide the Synonyms of This API
Almotriptan; 154323-57-6; Almogran; LAS-31416; UNII-1O4XL5SN61; N,N-dimethyl-2-(5-((pyrrolidin-1-ylsulfonyl)methyl)-1H-indol-3-yl)ethanamine; 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine; N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine; 1O4XL5SN61; CHEBI:520985; N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine; Pyrrolidine, 1-(((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)-; LAS 31416; NCGC00095135-01; Pyrrolidine, 1-[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-; DSSTox_CID_24289; DSSTox_RID_80142; DSSTox_GSID_44289; Almotriptan [USAN:INN:BAN]; dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine; Almotriptan (USAN); CAS-154323-57-6; Almotrintan; SR-05000001986; PNU-180638; Spectrum_001884; Spectrum2_000498; Spectrum3_001006; Spectrum4_001134; Spectrum5_001554; SCHEMBL1957; CHEMBL1505; BSPBio_002731; KBioGR_001647; KBioSS_002414; BIDD:GT0048; SPECTRUM1505204; SPBio_000395; GTPL7110; DTXSID5044289; HY-B0383A; KBio2_002408; KBio2_004976; KBio2_007544; KBio3_001951; ZINC18087; HMS1922L13; Pharmakon1600-01505204; BCP06539; Tox21 111444; Tox21_111444; ANW-44596; CCG-39569; NSC760092; AKOS015895080; Tox21_111444_1; AC-8799; AM84500; CS-4530; DB00918; EBD2201889; NSC-760092; SB19515; NCGC00095135-02; NCGC00095135-03; NCGC00095135-04; NCGC00095135-05; DB-064033; FT-0651595; 23A576; D02824; AB01563047_01; AB01563047_02; A809522; L000846; Q409729; SR-05000001986-1; BRD-K67601717-001-02-0; 1-[[3-(2-dimethylaminoethyl)-5-indolyl]methanesulphonyl]pyrrolidine; 1H-Indole-3-ethanamine, N,N-dimethyl-5-[(1-pyrrolidinylsulfonyl)methyl]-; N,N-dimethyl-2-[5-(1-pyrrolidinylsulfonylmethyl)-1H-indol-3-yl]ethanamine; N,N-Dimethyl-2-(5-((pyrrolidin-1-ylsulfonyl)-methyl)-1H-indol-3-yl)ethanamine; N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H- indol-3-yl]-ethanamine
Clinical Status
Approved
Disease Indication Migraine ICD-11: 8A80 [1]
PubChem CID
123606
Formula
C17H25N3O2S
Canonical SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3
InChI
1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3
InChIKey
WKEMJKQOLOHJLZ-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=123606"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 335.5 Topological Polar Surface Area 64.8
XlogP 1.6 Complexity 483
Heavy Atom Count 23 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Almotriptan 12.5 mg tablet Click to Show/Hide the Full List of Formulation(s):          7 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
Sodium stearyl fumarate; Fd&c blue no. 2; Mannitol; Propylene glycol; Titanium dioxide; Carnauba wax; Hypromellose, unspecified; Polyethylene glycol, unspecified; Povidone, unspecified; Powdered cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Patriot Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [2]
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [5]
             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
Sodium stearyl fumarate; Fd&c blue no. 2; Mannitol; Propylene glycol; Titanium dioxide; Carnauba wax; Hypromellose, unspecified; Polyethylene glycol, unspecified; Povidone, unspecified; Powdered cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Janssen Pharmaceutical
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [2]
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [5]
             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
Sodium stearyl fumarate; Mannitol; Titanium dioxide; Triacetin; Croscarmellose sodium; Povidone k30; Hypromellose 2910 (3 mpa.s); Hypromellose 2910 (50 mpa.s); Hypromellose 2910 (6 mpa.s); Microcrystalline cellulose; Polydextrose; Polyethylene glycol 8000
                   Dosage Form Oral Tablet
                   Company Teva 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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [6]
             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
Sodium stearyl fumarate; Mannitol; Ferric oxide red; Propylene glycol; Titanium dioxide; Carnauba wax; Hypromelloses; Polyethylene glycols; Powdered cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Physicians Total Care
                   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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [5]
             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
Sodium stearyl fumarate; Mannitol; Ferric oxide red; Propylene glycol; Titanium dioxide; Carnauba wax; Hypromelloses; Polyethylene glycols; Powdered cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Ortho-McNeil-Janssen 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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [5]
             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
Sodium stearyl fumarate; Mannitol; Titanium dioxide; Povidone; Cellulose, microcrystalline; Hypromelloses; Polyethylene glycols; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Ajanta Pharmaceutical
                   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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [7]
             Drug Formulation 7 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
Sodium stearyl fumarate; Mannitol; Titanium dioxide; Hypromellose, unspecified; Microcrystalline cellulose; Polyethylene glycol, unspecified; Povidone, unspecified; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Mylan Pharamceuticals
                   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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
          Almotriptan 6.25 mg tablet 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
Sodium stearyl fumarate; Mannitol; Titanium dioxide; Triacetin; Croscarmellose sodium; Povidone k30; Hypromellose 2910 (3 mpa.s); Hypromellose 2910 (50 mpa.s); Hypromellose 2910 (6 mpa.s); Microcrystalline cellulose; Polydextrose; Polyethylene glycol 8000
                   Dosage Form Oral Tablet
                   Company Teva 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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [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
Sodium stearyl fumarate; Mannitol; Ferric oxide red; Propylene glycol; Titanium dioxide; Carnauba wax; Hypromellose, unspecified; Polyethylene glycol, unspecified; Povidone, unspecified; Powdered cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Patriot 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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [5]
             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
Sodium stearyl fumarate; Mannitol; Ferric oxide red; Propylene glycol; Titanium dioxide; Carnauba wax; Hypromellose, unspecified; Polyethylene glycol, unspecified; Povidone, unspecified; Powdered cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Janssen Pharmaceutical
                   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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [5]
             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
Sodium stearyl fumarate; Mannitol; Ferric oxide red; Propylene glycol; Titanium dioxide; Carnauba wax; Hypromelloses; Polyethylene glycols; Powdered cellulose; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Ortho-McNeil-Janssen 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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [5]
             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
Sodium stearyl fumarate; Mannitol; Titanium dioxide; Povidone; Cellulose, microcrystalline; Hypromelloses; Polyethylene glycols; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Ajanta Pharmaceutical
                   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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [7]
             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
Sodium stearyl fumarate; Mannitol; Titanium dioxide; Hypromellose, unspecified; Microcrystalline cellulose; Polyethylene glycol, unspecified; Povidone, unspecified; Sodium starch glycolate type a potato
                   Dosage Form Oral Tablet
                   Company Mylan Pharamceuticals
                   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) [3]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [4]
References
1 FDA label for approved almotriptan from the official website of the U.S. Food and Drug Administration.
2 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
3 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
4 Synthesis and evaluation of (-)-Massoialactone and analogues as potential anticancer and anti-inflammatory agents. Eur J Med Chem. 2014 Apr 9; 76:291-300.
5 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
6 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
7 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.

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