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 |
|---|---|
ALK, ROS1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | EGFR |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10392-101-1 | MedChem Express | 10100 |
(Kd <100 nM)