Canertinib - Small Molecule (ID:10120-999)
| HMS LINCS ID: |
10120-999
|
| Name: | Canertinib |
| Alternative Names: | CI-1033; PD-183805 |
| LINCS ID: | LSM-1120 |
| PubChem CID: | 156414 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 485.16 |
| InChi: | InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) |
| InChi Key: | OMZCMEYTWSXEPZ-UHFFFAOYSA-N |
| SMILES: | C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4 |
| 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, BLK, EGFR, ERBB2, ERBB4, MAP2K5, Tuba1a | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ABL2, CSNK1E, DDR1, EPHA6, EPHB6, ERBB3, GAK, IRAK1, JAK3, LCK, LRRK2, LYN, MAP2K7, MAP3K19, MAP4K2, MKNK1, RIPK2, SIK3, TGFBR2, TPTEP2-CSNK1E, TXK |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ACVR1, AIM1, ALK, AURKB, AURKC, AXL, BMP2K, BMPR1B, BMX, BTK, CIT, COQ8A, COQ8B, CSK, CSNK1D, DMPK, DYRK1A, DYRK2, EPHA1, EPHA3, EPHA4, EPHA5, EPHA8, EPHB1, EPHB2, EPHB4, FGR, FLT1, FLT3, FPGT-TNNI3K, FRK, FYN, HCK, HIPK4, HUNK, IRAK3, IRAK4, ITK, KIT, LTK, MAP2K1, MAP2K2, MAP3K2, MAP3K20, MAP3K3, MAP3K4, MAP3K7, MAP4K5, MAPK10, MAPK4, MAPK6, MAPK9, MET, MINK1, MKNK2, PDGFRA, PDGFRB, PTK6, RET, RIOK1, RPS6KA1, SIK2, SLK, SRC, SRMS, STK10, STK17B, STK35, STK36, TEC, TESK1, TGFBR1, TIE1, TNIK, TNNI3K, TYRO3, ULK3, YES1 |
10 (confirmed non-binding) |
Batch Information for HMSL10120-999-2:
| HMS LINCS Batch ID: | 10120-999-2 |
| Provider: | |
| Provider Batch ID: | |
| Salt: | 999 |
| Molecular Formula: | |
| Molecular Weight: | |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2016-05-27 |
| Most Recent Update: | 2016-12-02 |
(Kd <100 nM)