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 |
|---|---|
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) |
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 |
(Kd <100 nM)