Erlotinib - Small Molecule (ID:10097-101)

HMS LINCS ID: 10097-101
Name: Erlotinib
Alternative Names: OSI-774
LINCS ID: LSM-1097
PubChem CID: 176870
ChEBI ID:
ChEMBL ID: 553
Molecular Mass: 393.17
InChi: InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
InChi Key: AAKJLRGGTJKAMG-UHFFFAOYSA-N
SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
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, EGFR, ERBB3, GAK, MAP2K5, MAP3K19, SLK, STK10
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL2, AURKC, BLK, CIT, CSNK1E, DDR1, EPHA5, EPHA6, EPHA8, ERBB2, ERBB4, FLT3, FPGT-TNNI3K, HIPK4, JAK3, KDR, LCK, LTK, LYN, MERTK, MKNK1, MYLK2, RET, RIPK2, SRC, TIE1, TNK1, TNNI3K, TPTEP2-CSNK1E, Tuba1a, Ulk3, ULK3
3
(equivalent to 1µM ≤ Kd < 10 µM)
AAK1, AIM1, ALK, AURKA, AURKB, AXL, BMP2K, CAMK2D, CDC42BPG, CDC7, CDK1, CHEK2, CHUK, COQ8A, COQ8B, CSK, CSNK1A1, CSNK1D, DAPK3, DMPK, DYRK1A, DYRK2, DYRK3, DYRK4, EEF2K, EIF2AK2, EIF2AK4, EPHA3, EPHA7, EPHB1, EPHB4, EPHB6, FGR, FLT1, FLT4, FRK, GRK4, GRK5, HCK, HIPK2, IKBKB, IRAK1, JAK2, KIT, LRRK2, MAP3K2, MAP3K3, MAP4K2, MAPK10, MAPK13, MAPK4, MAPK9, MATK, MET, MINK1, MKNK2, MST1R, NEK4, PASK, PDGFRA, PDGFRB, PIP4K2C, PLK4, PRKCG, PRKCI, PRKCZ, RIPK4, ROCK1, ROCK2, RPS6KA4, RPS6KB1, SBK1, SIK2, SRPK3, STK17A, STK17B, STK36, TAOK1, TBK1, TNIK, TSSK2, TTK, TXK, TYK2, TYRO3, 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
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
20256
Breast Cancer Cell Density: Imaging assay of the density- and context-dependence of small molecule perturbagen response in breast cancer cell lines. Dataset 1 of 3: Cell count and normalized growth rate inhibition values.
Microscopy/Imaging
20257
Breast Cancer Cell Density: Imaging assay of the density- and context-dependence of small molecule perturbagen response in breast cancer cell lines. Dataset 2 of 3: Mean cell count and mean normalized growth rate inhibition values across all replicates.
Microscopy/Imaging
20258
Breast Cancer Cell Density: Imaging assay of the density- and context-dependence of small molecule perturbagen response in breast cancer cell lines. Dataset 3 of 3: Calculated dose-response metrics.
Analysis
20324
Tyrosine Kinase Inhibitor-induced cardiotoxicity in hiPSC derived cardiomyocytes - pilot dataset
RNA-Seq
20325
Tyrosine Kinase Inhibitor-induced cardiotoxicity in hiPSC derived cardiomyocytes - pilot dataset (qPCR validation)
qPCR
20349
Tyrosine Kinase Inhibitor-induced cardiotoxicity in hiPSC derived cardiomyocytes - Proteomics
Proteomics

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10097-101-1 Haoyuan chemexpress HY-50896-20110114
10097-101-2 MGH Pharmacy