CAL-101 - Small Molecule (ID:10204-101)
| HMS LINCS ID: |
10204-101
|
| Name: | CAL-101 |
| Alternative Names: | |
| LINCS ID: | LSM-1205 |
| PubChem CID: | 11625818 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 415.16 |
| InChi: | InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 |
| InChi Key: | IFSDAJWBUCMOAH-HNNXBMFYSA-N |
| SMILES: | CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
PIK3CD, PIK3CG | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | PIK3CA, PIK3CB |
3 (equivalent to 1µM ≤ Kd < 10 µM) | PIK3C2B, PRKDC |
10 (confirmed non-binding) |
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 |
| 20364 | Evaluation of the sensitivities of six triple-negative breast cancer (TNBC) cell lines to 23 different PI3K/AKT/mTOR inhibitors or to a MEK inhibitor (trametinib). Dataset 1 of 2: GR values. | Microscopy/Imaging |
| 20365 | Evaluation of the sensitivities of six triple-negative breast cancer (TNBC) cell lines to 23 different PI3K/AKT/mTOR inhibitors or to a MEK inhibitor (trametinib). Dataset 2 of 2: GR metrics. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10204-101-1 | Haoyuan chemexpress | HM-133_6-20110829B |
(Kd <100 nM)