Canertinib - Small Molecule (ID:10120-102)

HMS LINCS ID: 10120-102
Name: Canertinib
Alternative Names: CI-1033; PD-183805
LINCS ID: LSM-1120
PubChem CID: 156414
ChEBI ID:
ChEMBL ID:
Molecular Mass: 485.16
InChi: InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
InChi Key: OMZCMEYTWSXEPZ-UHFFFAOYSA-N
SMILES: C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
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)
ABL1, BLK, EGFR, ERBB2, ERBB4, MAP2K5, Tuba1a
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL2, CSNK1E, DDR1, EPHA6, EPHB6, ERBB3, GAK, IRAK1, JAK3, LCK, LRRK2, LYN, MAP2K7, MAP3K19, MAP4K2, MKNK1, RIPK2, SIK3, TGFBR2, TPTEP2-CSNK1E, TXK
3
(equivalent to 1µM ≤ Kd < 10 µM)
ACVR1, AIM1, ALK, AURKB, AURKC, AXL, BMP2K, BMPR1B, BMX, BTK, CIT, COQ8A, COQ8B, CSK, CSNK1D, DMPK, DYRK1A, DYRK2, EPHA1, EPHA3, EPHA4, EPHA5, EPHA8, EPHB1, EPHB2, EPHB4, FGR, FLT1, FLT3, FPGT-TNNI3K, FRK, FYN, HCK, HIPK4, HUNK, IRAK3, IRAK4, ITK, KIT, LTK, MAP2K1, MAP2K2, MAP3K2, MAP3K20, MAP3K3, MAP3K4, MAP3K7, MAP4K5, MAPK10, MAPK4, MAPK6, MAPK9, MET, MINK1, MKNK2, PDGFRA, PDGFRB, PTK6, RET, RIOK1, RPS6KA1, SIK2, SLK, SRC, SRMS, STK10, STK17B, STK35, STK36, TEC, TESK1, TGFBR1, TIE1, TNIK, TNNI3K, TYRO3, ULK3, YES1
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
20118
CI-1033 KINOMEscan
 KINOMEscan
20237
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 1 of 15: Cell count and relative growth within biological replicate 1.
 Microscopy/Imaging
20238
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 2 of 15: Cell count and relative growth within biological replicate 2.
 Microscopy/Imaging
20239
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 3 of 15: Cell count and relative growth within biological replicate 3.
 Microscopy/Imaging
20240
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 4 of 15: Mean cell count and mean growth rate across biological replicate 1.
 Microscopy/Imaging
20241
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 5 of 15: Mean cell count and mean growth rate across biological replicate 2.
 Microscopy/Imaging
20242
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 6 of 15: Mean cell count and mean growth rate across biological replicate 3.
 Microscopy/Imaging
20243
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 7 of 15: Mean cell count and mean growth rate across all replicates.
 Microscopy/Imaging
20245
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 8 of 15: Cell count and normalized growth rate inhibition values within biological replicate 1.
 Microscopy/Imaging
20246
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 9 of 15: Cell count and normalized growth rate inhibition values within biological replicate 2.
 Microscopy/Imaging
20247
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 10 of 15: Cell count and normalized growth rate inhibition values within biological replicate 3.
 Microscopy/Imaging
20248
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 11 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 1.
 Microscopy/Imaging
20249
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 12 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 2.
 Microscopy/Imaging
20250
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 13 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 3.
 Microscopy/Imaging
20251
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 14 of 15: Mean cell count and mean normalized growth rate inhibition values across all replicates.
 Microscopy/Imaging
20252
LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 15 of 15: Calculated dose-response metrics.
 Analysis

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10120-102-1 Haoyuan chemexpress HY-10367A-20110609