Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00658)
Name
Telotristat ethyl
Synonyms    Click to Show/Hide the Synonyms of This API
TELOTRISTAT ETHYL; 1033805-22-9; LX1606; Xermelo; LX 1606; (S)-Ethyl 2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoate; LX-1606; UNII-8G388563M7; Telotristat ethyl [USAN]; LX 1032; 1033805-22-9 (ethyl); 8G388563M7; Telotristat ethyl (USAN); ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate; ethyl (S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoate; Telotristat Etiprate (LX 1606 Hippurate); Xermelo (TN); LX-1032; Lx1606, Telotristat; cc-432; C27H26ClF3N6O3; SCHEMBL610588; GTPL9490; CHEMBL2105695; EX-A322; BDBM445704; 3791AH; ABP000310; HY-13055A; LX1032; MFCD18251583; ZINC43205655; BCP9000866; DB12095; SB18006; US10683309, Example LX1606; LX1606 /LX-1606; NCGC00390241-01; NCGC00390241-07; AS-35061; A11785; D09974; J-524318; Q27270371; ethyl (2S)-2-Amino-3-(4-(2-amino-6-(((1R)-1-(4-chloro-2-(3-methylpyrazol-1-yl)phenyl)-2,2,2-trifluoroethyl)oxy)pyrimidin-4-yl)phenyl)propionate; Telotristat ethyl; 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine, ethyl ester
Clinical Status
Approved
Disease Indication Carcinoid syndrome ICD-11: 5B10 [1]
PubChem CID
25181577
Formula
C27H26ClF3N6O3
Canonical SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N
InChI
1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1
InChIKey
MDSQOJYHHZBZKA-GBXCKJPGSA-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=25181577"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 575 Topological Polar Surface Area 131
XlogP 5.1 Complexity 821
Heavy Atom Count 40 Rotatable Bond Count 10
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11
Full List of Drug Formulations (DFMs) Containing This API
          Telotristat ethyl 250 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
Anhydrous lactose; Magnesium stearate; Talc; Titanium dioxide; Croscarmellose sodium; Silicon dioxide; Hydroxypropyl cellulose (120000 mw); Polyethylene glycols; Polyvinyl alcohol, unspecified
                   Dosage Form Oral Tablet
                   Company Lexicon Pharmaceuticals
                   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) [2]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [2]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
References
1 FDA label for approved telotristat ethyl from the official website of the U.S. Food and Drug Administration.
2 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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