Table of Contents

Vemurafenib 6.6μM R08 exp434

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: N/A
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 Summary

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

Screen Results

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
111/105	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
GPR107	-5.73	0.00
SLC39A9	-5.44	0.00
APBA3	-4.69	0.00
ACBD3	-4.58	0.00
ARL5B	-4.57	0.00
TBC1D23	-4.55	0.00
TM9SF3	-4.35	0.00
CHKA	-4.33	0.00
ARL1	-4.14	0.00
VKORC1L1	-4.13	0.00
LDLR	-3.96	0.00
UGCG	-3.65	0.00
SPTLC1	-3.62	0.00
RALGAPB	-3.54	0.00
MON2	-3.53	0.00
NRAS	-3.41	0.00
C12orf23	-3.41	0.00
TBC1D22B	-3.37	0.00
METAP1	-3.36	0.00
BRD1	-3.33	0.00
KDSR	-3.33	0.00
MMD	-3.31	0.00
MS4A13	-3.28	0.07
COPB2	-3.25	<0.01
HMGB2	-3.20	0.00
IGLL1	-3.17	0.00
YIPF5	-3.17	0.00
IER3IP1	-3.16	0.00
SCAP	-3.09	0.00
ARL5A	-3.08	0.00
BRAP	2.94	<0.01
ATP8B2	2.94	<0.01
HEATR5B	3.05	0.00
TNPO1	3.05	<0.01
DAZAP1	3.07	0.00
INSIG1	3.08	<0.01
WIBG	3.13	<0.01
ZBTB7A	3.14	0.00
TSC2	3.16	0.00
RQCD1	3.18	0.00
SEC24C	3.25	0.00
TVP23C-CDRT4	3.32	<0.01
MBOAT7	3.34	0.00
NUDT5	3.36	0.00
YIPF6	3.48	0.00
ABCG1	3.51	0.00
RBM38	3.67	0.00
CHP1	3.80	0.00
FKBPL	3.80	0.00
CARM1	4.20	0.00
SH3BP5L	4.23	0.00
MBD2	4.39	0.00
TMEM30A	4.45	0.00
ELF1	4.46	0.00
KIAA2013	4.53	0.00
TRAPPC9	4.95	0.00
TM9SF2	5.18	0.00
TRAPPC10	5.57	0.00
RAB11A	6.49	0.00
PITPNB	8.00	0.00

Screen	Correlation	Plot
Vemurafenib 6.6μM R02 exp89	0.296	View
Clomiphene 4.4μM R02 exp68	0.155	View
Bafilomycin-A1 0.009μM R08 exp454	0.115	View
BH1 1μM R04 exp169	0.098	View
Q15 1 to 2μM on day4 R04 exp164	0.089	View
Q15 2.7μM R02 exp79	0.089	View
Monensin 0.3μM R08 exp507	0.077	View
Tubacin 1.6μM R07 exp416	0.077	View
UM0125461 0.74μM R02 exp84	0.068	View
BS-181 20μM R08 exp461	0.056	View
Thioridazine 5μM R08 exp530	0.056	View
Oligomycin-A 2μM R00 exp25	0.054	View
Hydroxyurea 100μM R07 exp329	0.052	View
CFI-400945 25μM R08 exp469	0.051	View
Chloroquine 32μM R08 exp470	0.051	View