Vemurafenib 6.6μM R02 exp89 [The Human Chemical-Genetic Interaction Map Project]

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

Class / Subclass 1: Signal Transduction / Kinase Inhibitor

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: PLX4032
Min: -1.0206; Max: 99.0635

IC	Concentration (µM)
IC10	N/A
IC20	5.8132
IC30	6.5830
IC40	7.2895
IC50	8.0043
IC60	N/A
IC70	N/A
IC80	N/A
IC90	N/A

Screen Summary

Round: 02
Dose: 6.6µM
Days of incubation: 8
Doublings: 3.8
Numbers of reads: 13787325

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
102/37	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
GPR107	-4.88	0.00
VKORC1L1	-4.52	0.00
ARL5B	-4.37	0.00
APBA3	-4.28	0.00
TBC1D23	-4.25	0.00
SLC39A9	-4.09	0.00
SCAP	-3.83	0.00
SPTLC1	-3.72	0.00
QARS	-3.64	<0.01
MTMR6	-3.53	0.00
LDLR	-3.44	0.00
TM9SF4	-3.42	0.00
PI4KB	-3.41	0.00
METAP1	-3.32	0.00
RALGAPB	-3.24	0.00
ACBD3	-3.18	<0.01
GDI2	-3.13	0.00
EPT1	-3.10	<0.01
IVNS1ABP	-3.10	0.00
UGCG	-3.09	0.00
KDSR	-3.07	0.00
PDS5B	-3.07	0.00
VPS29	-3.06	0.00
YIPF5	-3.05	0.00
CHKA	-3.00	0.00
SOX4	-2.98	<0.01
ELAVL1	-2.98	0.00
QDPR	-2.97	0.00
CTDNEP1	-2.97	0.00
CCDC22	-2.94	0.00
C17orf75	2.47	0.01
NONO	2.52	0.03
RPS12	2.55	0.05
RAB8A	2.58	0.01
R3HDM1	2.61	<0.01
MIER3	2.65	0.01
CDK13	2.70	<0.01
TM9SF2	2.70	<0.01
RQCD1	2.71	0.01
ADIPOR1	2.74	<0.01
RBM38	2.75	<0.01
NUDT5	2.85	<0.01
CLUH	2.85	<0.01
SAR1A	2.86	<0.01
FDPS	2.90	0.01
ELF1	2.92	<0.01
AGPAT6	3.09	0.00
C21orf91	3.15	<0.01
CHP1	3.25	0.00
ACACA	3.47	0.00
ATP8B2	3.48	<0.01
CARM1	3.50	0.00
MBD2	3.74	0.00
TNPO1	3.94	0.00
TRAPPC9	4.15	0.00
KIAA2013	4.43	0.00
TRAPPC10	4.44	0.00
RAB11A	4.80	0.00
TMEM30A	5.02	0.00
PITPNB	6.63	0.00

Screen	Correlation	Plot
Vemurafenib 6.6μM R08 exp434	0.296	View
WYE-354 6μM R02 exp90	0.051	View
Clomiphene 4.4μM R02 exp68	0.16	View
Bafilomycin-A1 0.009μM R08 exp454	0.117	View
Q15 1 to 2μM on day4 R04 exp164	0.103	View
BH1 1μM R04 exp169	0.102	View
Q15 2.7μM R02 exp79	0.101	View
Tubacin 1.6μM R07 exp416	0.074	View
UM0125461 0.74μM R02 exp84	0.07	View
Cryptotanshinone 12μM R05 exp227	0.057	View
FTY720 3μM R08 exp483	0.056	View
Monensin 0.3μM R08 exp507	0.055	View
Nicotine 3000μM R08 exp510	0.051	View

Last modified: 2026/01/15 21:36
by 127.0.0.1