ALK-IN-1 - Small Molecule (ID:10392-101)

HMS LINCS ID: 10392-101
Name: ALK-IN-1
Alternative Names:
LINCS ID:
PubChem CID: 57390074
ChEBI ID:
ChEMBL ID:
Molecular Mass: 528.22
InChi: InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
InChi Key: OVDSPTSBIQCAIN-UHFFFAOYSA-N
SMILES: CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC
Relevant Citations:
Comments: Until 12.18.2017, this compound was incorrectly referenced as AP26113 in the HMS LINCS DB. This is because multiple vendors had incorrectly referenced the compound as this through May 2016 and buyers were not notified when the error was fixed. This error is referenced in Clinical Cancer Research DOI: 10.1158/1078-0432.CCR-16-0569.
Date Publicly Available:
Most Recent Update: 2017-12-18

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
ALK, ROS1
2
(equivalent to 100 nM ≤ Kd < 1µM)
EGFR

Batch Information for HMSL10392-101-1:

HMS LINCS Batch ID: 10392-101-1
Provider: MedChem Express
Provider Batch ID: 10100
Salt: 101
Molecular Formula: C26H34ClN6O2P
Molecular Weight: 529.01
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-08-27
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10392-101-1:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10392-101-1_LCMS.pdf