Pelitinib - Small Molecule (ID:10159-101)

HMS LINCS ID: 10159-101
Name: Pelitinib
Alternative Names: EKB-569
LINCS ID: LSM-1160
PubChem CID: 216467
ChEBI ID:
ChEMBL ID:
Molecular Mass: 467.15
InChi: InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)
InChi Key: WVUNYSQLFKLYNI-UHFFFAOYSA-N
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)C
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)
BLK, CSNK1E, DMPK, EGFR, GAK, JAK3, LCK, MAP4K5, Tuba1a
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, ABL2, AXL, CIT, EIF2AK4, ERBB2, ERBB4, FGR, FRK, LYN, MAP2K1, MAP2K2, MAP3K4, MAP4K1, MAP4K3, MAP4K4, NEK2, SLK, SRC, STK10, STK17A, TNIK, WEE1, YES1
3
(equivalent to 1µM ≤ Kd < 10 µM)
AAK1, ALK, BMP2K, BMX, BTK, CAMK1D, CAMKK1, CAMKK2, CHEK1, CLK1, CLK2, CLK3, CLK4, CSF1R, CSK, CSNK1A1L, CSNK1D, DAPK3, DCLK3, DYRK1B, EIF2AK2, EPHA3, EPHA5, EPHA6, EPHA8, EPHB1, EPHB4, FER, FES, FLT3, FYN, HCK, ITK, JAK2, MARK1, MERTK, MET, MST1, MYLK2, MYT1, NEK1, NUAK2, PAK1, PHKG1, PHKG2, PIP4K2B, PKMYT1, PRKCD, PTK2, RPS6KA2, SIK2, STK17B, STK24, STK25, Stk3, STK3, STK32B, STK33, STK36, STK38L, STK4, SYK, TEK, TIE1, TNK2, TNNI3K, TXK, TYRO3, Ulk3
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
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

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10159-101-1 Haoyuan chemexpress HY-32718_1-20110110