Erlotinib - Small Molecule (ID:10097-999)
| HMS LINCS ID: |
10097-999
|
| 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: | 2016-07-12 |
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 |
| 20160 | Erlotinib KINOMEscan | KINOMEscan |
| 20266 | Multiplexed imaging of protein levels and protein phosphorylation states in the MCF 10A breast cell line treated with nine kinase inhibitors | Microscopy/Imaging |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10097-999-4 | ||
| 10097-999-5 | Selleck Chemicals |
(Kd <100 nM)