Erlotinib - Small Molecule (ID:10097-102)

HMS LINCS ID: 10097-102
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
20120
Metrics other than potency reveal systematic variation in responses to cancer drugs
 Analysis
20268
Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 1 of 4: Relative cell counts and normalized growth rate inhibition values across technical replicates.
 Analysis
20269
Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 2 of 4: Calculated dose-response metrics.
Analysis
20270
Growth rate-corrected (GR) dose-response metric signatures across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 3 of 4: Median, upper quartile, and lower quartile GR metrics per perturbagen.
Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10097-102-3 LC Laboratories