Vemurafenib - Small Molecule (ID:10068-101)

HMS LINCS ID: 10068-101
Name: Vemurafenib
Alternative Names: PLX4032; RG7204; R7204; RO5185426
LINCS ID: LSM-1068
PubChem CID: 42611257
ChEBI ID:
ChEMBL ID:
Molecular Mass: 489.07
InChi: 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
SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
BRAF
2
(equivalent to 100 nM ≤ Kd < 1µM)
ARAF, KDR, PF3D7_0217500, RAF1, SRMS
10
(confirmed non-binding)
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Batch Information for HMSL10068-101-1:

HMS LINCS Batch ID: 10068-101-1
Provider: Haoyuan chemexpress
Provider Batch ID:
Salt: 101
Molecular Formula: C23H18ClF2N3O3S
Molecular Weight: 489.92
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-12-02

HMS QC Testing Events for HMSL10068-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10068-101-1_LCMS.pdf
06/06/2011 PASS None