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Vemurafenib 6.6μM R08 exp434

Mechanism of Action

Inhibits BRAF-V300E, paradoxical RAF activation by stabilization of CRAF/BRAF heterodimer

  • Class / Subclass 1: Signal Transduction / Kinase Inhibitor

Technical Notes

Compound References

  • PubChem Name: Vemurafenib
  • Synonyms: PLX4032; RG7204; RO5185426
  • CAS #: 918504-65-1
  • PubChem CID: 42611257
  • IUPAC: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
  • INCHI Name: 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)
  • INCHI Key: GPXBXXGIAQBQNI-UHFFFAOYSA-N
  • Molecular Weight: 489.9
  • 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
  • Isomeric SMILES: NA
  • Molecular Formula: C23H18ClF2N3O3S

Compound Supplier

  • Supplier Name: Med Chem Express
  • Catalog #: HY-12057
  • Lot #: 23749

Compound Characterization

  • HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C23H18ClF2N3O3S 490.07982; found 490.0813

Dose Response Curve

  • Platform ID: Vemurafenib
  • Min: -0.5775; Max: 99.8470





IC Concentration (µM)
IC10 0.3969
IC20 0.7983
IC30 1.2700
IC40 1.8590
IC50 2.6360
IC60 3.7390
IC70 5.4720
IC80 8.7070
IC90 17.5100


Screen Results

  • Round: 08
  • Dose: 6.6µM
  • Days of incubation: 8
  • Doublings: 2.0
  • Numbers of reads: 15820409

Screen Summary

Sensitive/Resistant hits (FDR<0.05)CRANKSScore PlotTop 30 GenesScreen SimilarityTop 30 Sensitive GO termsTop 30 Resistant GO terms
111/105ScoresViewViewViewViewView

  • Last modified: 2025/10/22 21:28
  • by tyersadmin