Ceritinib - Small Molecule (ID:10394-101)

HMS LINCS ID: 10394-101
Name: Ceritinib
Alternative Names: LDK378
LINCS ID:
PubChem CID: 57379345
ChEBI ID:
ChEMBL ID:
Molecular Mass: 557.22
InChi: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
InChi Key: VERWOWGGCGHDQE-UHFFFAOYSA-N
SMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
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)
ALK, INSR, TSSK1B
2
(equivalent to 100 nM ≤ Kd < 1µM)
EGFR, FGFR2, FGFR4, IGF1R, LCK, ROS1
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL1, BTK, CDK2, CDK4, ETV6, FGFR3, FGR, FLT3, JAK1, JAK2, JAK3, KDR, KIT, LYN, MET, MKNK2, NTRK1, NTRK2, PDGFRA, RET, ROCK2, SRC, SYK, ZAP70
10
(confirmed non-binding)
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Datasets:

HMS Dataset ID Dataset Title HMS Dataset Type
20000
Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library.
Analysis
20329
Ceritinib KINOMEscan
KINOMEscan
20343
Breast Cancer Profiling Project, Drug Sensitivity phase I: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens from library plate I. Dataset 1 of 2: Normalized growth rate inhibition values
Microscopy/Imaging
20344
Breast Cancer Profiling Project, Drug Sensitivity phase I: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens from library plate I. Dataset 2 of 2: Calculated dose response metrics
Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10394-101-1 MedChem Express 11564
10394-101-2