Neratinib - Small Molecule (ID:10018-101)

HMS LINCS ID: 10018-101
Name: Neratinib
Alternative Names: HKI-272
LINCS ID: LSM-42778
PubChem CID: 53398697
ChEBI ID:
ChEMBL ID: 180022
Molecular Mass: 556.20
InChi: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)
InChi Key: JWNPDZNEKVCWMY-UHFFFAOYSA-N
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2018-03-30

Nominal Targets:

Small Molecule Protein Effective Concentration Key References
Neratinib erbB-2
59 nM
[1] Cancer Res. 2004 Jun 1;64(11):3958-65. PMID: 15173008

Batch Information for HMSL10018-101-5:

HMS LINCS Batch ID: 10018-101-5
Provider: MedChem Express
Provider Batch ID: 10283
Salt: 101
Molecular Formula: C30H29ClN6O3
Molecular Weight: 557.04
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2016-01-08
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10018-101-5:

Date HMS QC Outcome Comment Files
12/21/2015 PASS HMSL10018-101-5_LCMS.pdf