Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01420)
Name
Selinexor
Synonyms    Click to Show/Hide the Synonyms of This API
Selinexor; KPT-330; 1393477-72-9; Xpovio; Selinexor HCl; UNII-31TZ62FO8F; Selinexor free base; (Z)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyrazin-2-yl)acrylohydrazide; KPT 330; 31TZ62FO8F; 1393477-72-9 (free base); 2-Propenoic acid, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-, 2-(2-pyrazinyl)hydrazide, (2Z)-; Selinexor (KPT-330); (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyrazin-2-yl)acrylohydrazide hydrochloride; 2-Propenoic acid, 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-, 2-(2-pyrazinyl)hydrazide, (2Z)-; Selinexor [USAN:INN]; KPT330;Selinexor; Xpovio (TN); Tube706; KPT-330(Selinexor); Selinexor (USAN/INN); CHEMBL3545185; SCHEMBL14678327; GTPL10036; EX-A870; 2500AH; BDBM50527778; MFCD27987944; NSC780203; NSC781780; ZINC96170454; CCG-269161; DB11942; NSC-780203; NSC-781780; NCGC00386310-03; BS-15022; compound 70 [WO2013019561A1]; N-Hydroxy-N'-(2-phenylethyl)isophthalamide; S7252; SW219336-1; A12582; D11222; J-690156; Q27256082; (2Z)-2-(2-Pyrazinyl)hydrazide-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-2-propenoic acid; 1621865-82-4
Clinical Status
Approved
PubChem CID
71481097
Formula
C17H11F6N7O
Canonical SMILES
C1=CN=C(C=N1)NNC(=O)/C=C\\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-
InChIKey
DEVSOMFAQLZNKR-RJRFIUFISA-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=71481097"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 443.3 Topological Polar Surface Area 97.6
XlogP 3 Complexity 621
Heavy Atom Count 31 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 12
Full List of Drug Formulations (DFMs) Containing This API
          Selinexor 20mg 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
Colloidal Silicon Dioxide; Croscarmellose Sodium; Magnesium Stearate; Microcrystalline Cellulose; Opadry 200 Clear; Opadry Ii Blue; Povidone K30; Sodium Lauryl Sulfate
                   Dosage Form Tablet
                   Company Karyopharm Therapeutics
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [1]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
References
1 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.
2 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
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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