Gefitinib - Small Molecule (ID:10098-101)
| HMS LINCS ID: |
10098-101
|
| Name: | Gefitinib |
| Alternative Names: | ZD1839; Iressa |
| LINCS ID: | LSM-1098 |
| PubChem CID: | 123631 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 446.15 |
| InChi: | InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) |
| InChi Key: | XGALLCVXEZPNRQ-UHFFFAOYSA-N |
| SMILES: | COC1=C(C=C2C(=C1)N=CN=C2NC3=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 |
|---|---|
EGFR, GAK, IRAK1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ABL1, CDK7, CHEK2, CSNK1E, EPHA6, ERBB2, ERBB3, ERBB4, HIPK4, IRAK4, LCK, LYN, MAP2K5, MAP3K19, MKNK1, MKNK2, RIPK2, SBK1, SLK, STK10, TPTEP2-CSNK1E, Tuba1a |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABCG2, ABL2, ACVR1, AKT1, AKT2, AXL, BCRP1, BLK, BRSK1, CAMK1, CAMK1D, CAMK2A, CAMK2B, CAMK2D, CAMK2G, CAMKK2, CDC7, CDK1, CDK2, CDK5, CDK8, CHEK1, CHUK, CIT, CLK2, CLK4, CSF1R, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, DAPK3, DCLK3, DMPK, DYRK1A, DYRK1B, DYRK3, DYRK4, EEF2K, EPHA1, EPHA2, EPHA3, EPHA5, EPHA8, EPHB1, EPHB4, EPHB6, FES, FGFR1, FGR, FLG, FLT3, FLT4, FRK, GRK5, GSK3A, GSK3B, HCK, HIPK2, IKBKB, IKBKE, IRAK3, JAK3, KIT, LIMK1, LTK, MAP3K2, MAP3K3, MAP4K2, MAP4K4, MAP4K5, MAPK1, MAPK10, MAPK12, MAPK13, MAPK14, MAPK4, MAPK6, MAPK8, MAPK9, MAPKAPK2, MARK2, MARK3, MARK4, MATK, MET, MINK1, MST1R, MYLK2, NEK2, NEK4, NLK, NTRK2, NUAK2, PAK4, PASK, PDK1, PDPK1, PHKG1, PHKG2, PIM1, PIM3, PIP4K2C, PKD1, PKD2, PKN2, PLK1, PLK3, PLK4, PRKAA1, PRKACA, PRKCD, PRKCG, PRKCI, PRKCZ, PRKD1, PRKD2, PRKD3, ROCK1, ROCK2, RPS6KA3, RPS6KA4, RPS6KB1, SGK2, SIK2, SRC, STK17A, STK17B, STK36, TAOK1, TBK1, TNIK, TNK2, TSSK2, TXK, Ulk3 |
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 |
| 20120 | Metrics other than potency reveal systematic variation in responses to cancer drugs | Analysis |
| 20136 | Breast cell line dose response to target inhibition measured by high throughput microscopy | Microscopy/Imaging |
| 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 |
| 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 |
|---|---|---|
| 10098-101-1 | Haoyuan chemexpress | HY-50895-20110114 |
| 10098-101-2 | R. Neve (LBL) |
(Kd <100 nM)