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

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10204-101-1 Haoyuan chemexpress HM-133_6-20110829B