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
1
(Kd <100 nM)
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