Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00635)
Name
Sorafenib
Synonyms    Click to Show/Hide the Synonyms of This API
Sorafenib; 284461-73-0; Nexavar; BAY 43-9006; 4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N-METHYLPICOLINAMIDE; UNII-9ZOQ3TZI87; Sorafenib free base; 284461-73-0 (free base); 100012-18-8; BAY-43-9006; 9ZOQ3TZI87; CHEMBL1336; DTXSID7041128; CHEBI:50924; MFCD06411450; Sorafenib (Nexavar); Donafenib (Sorafenib D3); sorafenibum; NSC-724772; BAY-54-9085; NCGC00167488-01; Sorafinib; Sorafenib [USAN:INN:BAN]; SR-00000000529; Sorafenib-d3; HSDB 8173; Hit compound, 8; Sorafenib, 4; BAY 439006; BAY43-9006; Kinome_766; SORAFENIB BASE; Sorafenib (USAN/INN); Nexavar (TN) (Bayer); EC 608-209-4; SCHEMBL8218; BAY 43-9006; Sorafenib; cid_216239; GTPL5711; QCR-65; BDBM16673; Nexavar; BAY 43-9006; SYN1082; BCPP000064; HMS2043A18; HMS3244A15; HMS3244A16; HMS3244B15; HMS3656N20; K00597a; ACT06732; AOB87782; BCP01767; BCP34023; EX-A2894; ZINC1493878; BAY439006; CS0056; NSC747971; NSC800934; STK627350; AKOS005560229; AC-1674; ACN-032355; CCG-269400; CS-1590; DB00398; MCULE-6112506696; NSC-747971; NSC-800934; PB14443; SB19942; SF-0529; BAY-43-0006; Sorafenib free base (BAY-43-9006); NCGC00167488-02; NCGC00167488-03; NCGC00167488-04; NCGC00167488-05; NCGC00167488-07; NCGC00167488-14; AK163019; HY-10201; AB0019677; AM20090614; FT-0650736; FT-0674632; SW202562-4; D08524; J10391; 15216-EP2272827A1; 15216-EP2298778A1; 15216-EP2311840A1; 15216-EP2316832A1; 15216-EP2316833A1; AB00933189-05; AB00933189-06; AB00933189_08; 461S730; Q421136; Q-201728; SR-00000000529-1; BRD-K23984367-001-01-8; Z89277543; BAY 439006; BAY439006; BAY-439006; Sorafenib (D3); CM-4307; CM 4307; CM4307;Bay 43-9006 (D3)
Clinical Status
Approved
Disease Indication Hepatocellular carcinoma ICD-11: 2C12 [1]
PubChem CID
216239
Formula
C21H16ClF3N4O3
Canonical SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI
1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKey
MLDQJTXFUGDVEO-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=216239"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 464.8 Topological Polar Surface Area 92.4
XlogP 4.1 Complexity 646
Heavy Atom Count 32 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Sorafenib 200 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
Sodium lauryl sulfate; Magnesium stearate; Ferric oxide red; Titanium dioxide; Croscarmellose sodium; Cellulose, microcrystalline; Hypromelloses; Polyethylene glycols
                   Dosage Form Oral Tablet
                   Company Bayer HealthCare
                   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) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
References
1 FDA label for approved sorafenib 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 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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