Afatinib - Small Molecule (ID:10133-101)
| HMS LINCS ID: |
10133-101
|
| Name: | Afatinib |
| Alternative Names: | BIBW-2992 |
| LINCS ID: | LSM-43226 |
| PubChem CID: | 57519523 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 485.16 |
| InChi: | InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1 |
| InChi Key: | ULXXDDBFHOBEHA-INIZCTEOSA-N |
| SMILES: | CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2018-03-30 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
EGFR, ERBB2, ERBB4, GAK | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ABL1, BLK, DYRK1A, EPHA6, HIPK4, IRAK1, LCK, PHKG2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | AXL, CIT, CSNK1E, DYRK1B, DYRK2, EPHB6, ERBB3, FLT3, FRK, HCK, MAP2K5, MAPK10, MAPK14, MAPK9, MET, MKNK1, MKNK2, PHKG1, RIPK2, RPS6KA6, SBK1, SLK, SRC, STK10, STK17A, TPTEP2-CSNK1E, TXK |
10 (confirmed non-binding) |
Batch Information for HMSL10133-101-1:
| HMS LINCS Batch ID: | 10133-101-1 |
| Provider: | Haoyuan chemexpress |
| Provider Batch ID: | HM-085_11-20110524 |
| Salt: | 101 |
| Molecular Formula: | C24H25ClFN5O3 |
| Molecular Weight: | 485.94 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10133-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 04/13/2015 | PASS | HMSL10133-101-1_LCMS.pdf | |
| 11/14/2011 | PASS | None |
(Kd <100 nM)