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
1
(Kd <100 nM)
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)
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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