Ceritinib - Small Molecule (ID:10394-101)
| HMS LINCS ID: |
10394-101
|
| Name: | Ceritinib |
| Alternative Names: | LDK378 |
| LINCS ID: | |
| PubChem CID: | 57379345 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 557.22 |
| InChi: | InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) |
| InChi Key: | VERWOWGGCGHDQE-UHFFFAOYSA-N |
| SMILES: | CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
ALK, INSR, TSSK1B | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | EGFR, FGFR2, FGFR4, IGF1R, LCK, ROS1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, BTK, CDK2, CDK4, ETV6, FGFR3, FGR, FLT3, JAK1, JAK2, JAK3, KDR, KIT, LYN, MET, MKNK2, NTRK1, NTRK2, PDGFRA, RET, ROCK2, SRC, SYK, ZAP70 |
10 (confirmed non-binding) |
Batch Information for HMSL10394-101-1:
| HMS LINCS Batch ID: | 10394-101-1 |
| Provider: | MedChem Express |
| Provider Batch ID: | 11564 |
| Salt: | 101 |
| Molecular Formula: | C28H36ClN5O3S |
| Molecular Weight: | 558.14 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2015-08-27 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10394-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 08/31/2015 | PASS | HMSL10394-101-1_LCMS.pdf |
(Kd <100 nM)