Selumetinib - Small Molecule (ID:10056-101)

HMS LINCS ID: 10056-101
Name: Selumetinib
Alternative Names: AZD6244; Array142886
LINCS ID: LSM-1056
PubChem CID: 10127622
ChEBI ID:
ChEMBL ID:
Molecular Mass: 456.00
InChi: InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
InChi Key: CYOHGALHFOKKQC-UHFFFAOYSA-N
SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO
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)
MAP2K1
2
(equivalent to 100 nM ≤ Kd < 1µM)
MAP2K2
3
(equivalent to 1µM ≤ Kd < 10 µM)
EGFR
10
(confirmed non-binding)
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Batch Information for HMSL10056-101-1:

HMS LINCS Batch ID: 10056-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HM-023_9-20101129
Salt: 101
Molecular Formula: C17H15BrClFN4O3
Molecular Weight: 457.68
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10056-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10056-101-1_LCMS.pdf
02/22/2011 PASS None