Regorafenib - Small Molecule (ID:10225-101)

HMS LINCS ID: 10225-101
Name: Regorafenib
Alternative Names: BAY 73-4506
LINCS ID: LSM-1226
PubChem CID: 11167602
ChEBI ID:
ChEMBL ID:
Molecular Mass: 482.08
InChi: InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
InChi Key: FNHKPVJBJVTLMP-UHFFFAOYSA-N
SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)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, EPHX2
2
(equivalent to 100 nM ≤ Kd < 1µM)
FGFR1, FLT1, FLT4, KDR, KIT, PDGFRB, RAF1, RET, TEK
3
(equivalent to 1µM ≤ Kd < 10 µM)
GLRA1

Batch Information for HMSL10225-101-1:

HMS LINCS Batch ID: 10225-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HY-10331-20111104
Salt: 101
Molecular Formula: C21H15ClF4N4O3
Molecular Weight: 482.82
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10225-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10225-101-1_LCMS.pdf