Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00723)
Name
Vemurafenib
Synonyms    Click to Show/Hide the Synonyms of This API
Vemurafenib; 918504-65-1; PLX4032; Zelboraf; 1029872-54-5; PLX-4032; RG7204; PLX 4032; RG 7204; Vemurafenib (PLX4032, RG7204); RO5185426; RO 5185426; UNII-207SMY3FQT; Vemurafenib (PLX4032); RG-7204; 207SMY3FQT; CHEBI:63637; MFCD18074504; NSC761431; Vemurafenib;PLX-4032; RO-5185426; C23H18ClF2N3O3S; Zelboraf (TN); Vemurafenib [USAN:INN]; vemurafenibum; Ro 51-85426; HSDB 8143; Vemurafenib; PLX4032; PLX4032 (Vemurafenib); PLX4032 - Vemurafenib; SCHEMBL298931; Vemurafenib (JAN/USAN/INN); GTPL5893; QCR-44; CHEMBL1229517; DTXSID50238710; EX-A053; SYN1161; HMS3265M03; HMS3265M04; HMS3265N03; HMS3265N04; HMS3654P09; HMS3748G15; AOB87705; BCP25783; EX-A1335; ABP000429; ANW-69692; BDBM50396483; NSC800964; ZINC52509366; AKOS007930804; ACN-030372; AM81259; CCG-264883; CS-0216; DB08881; MCULE-7244406627; ME-0096; NSC-761431; NSC-800964; PB11741; NCGC00250399-01; NCGC00250399-05; NCGC00250399-08; Vemurafenib, RG7204, RO5185426; AC-25010; AK-56796; HY-12057; SY067868; AB0031775; FT-0660388; FT-0675792; FT-0689782; SW218095-2; PLX-4032(RG7204)/PLX4032; RO-51-85426; A25476; D09996; Q-3409; R-7204; AB01273970-01; AB01273970_03; Q423111; SR-01000941568; carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide; J-522975; J-690009; SR-01000941568-1; BRD-K56343971-001-02-3; BRD-K56343971-001-05-6; PLX4032,Vemurafenib, RG7204, RO5185426, Zelboraf; N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-; 1415041-85-8
Clinical Status
Approved
Disease Indication Melanoma ICD-11: 2C30 [1]
PubChem CID
42611257
Formula
C23H18ClF2N3O3S
Canonical SMILES
CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
InChI
1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
InChIKey
GPXBXXGIAQBQNI-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=42611257"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 489.9 Topological Polar Surface Area 100
XlogP 5 Complexity 790
Heavy Atom Count 33 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Vemurafenib 240 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
Ferric oxide red; Talc; Titanium dioxide; Croscarmellose sodium; Polyethylene glycol 3350; Hydroxypropyl cellulose (120000 mw); Hypromellose acetate succinate 16070722 (3 mm2/s); Polyvinyl alcohol, unspecified
                   Dosage Form Oral Tablet
                   Company Genentech
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [2]
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [2]
References
1 FDA label for approved vemurafenib 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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