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) |
Batch Information for HMSL10204-101-1:
HMS LINCS Batch ID: | 10204-101-1 |
Provider: | Haoyuan chemexpress |
Provider Batch ID: | HM-133_6-20110829B |
Salt: | 101 |
Molecular Formula: | C22H18FN7O |
Molecular Weight: | 415.42 |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2011-07-15 |
Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10204-101-1:
Date | HMS QC Outcome | Comment | Files |
---|---|---|---|
04/13/2015 | PASS | HMSL10204-101-1_LCMS.pdf | |
04/12/2012 | PASS | None |
(Kd <100 nM)