IP6K/IP3K inhibitor - Small Molecule (ID:10455-101)
HMS LINCS ID: | 10455-101 |
Name: | IP6K/IP3K inhibitor |
Alternative Names: | 519178-28-0 |
LINCS ID: | |
PubChem CID: | 16760513 |
ChEBI ID: | |
ChEMBL ID: | |
Molecular Mass: | 443.13 |
InChi: | InChI=1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29) |
InChi Key: | DDSBPUYZPWNNGH-UHFFFAOYSA-N |
SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CNC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)[N+](=O)[O-])NC=N3 |
Relevant Citations: | |
Comments: | |
Date Publicly Available: | |
Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)Target Affinity Spectrum Value | HUGO Gene Name |
---|---|
IP6K1, IP6K2, IP6K3 | |
10 (confirmed non-binding) |
Batch Information for HMSL10455-101-1:
HMS LINCS Batch ID: | 10455-101-1 |
Provider: | EMD Millipore |
Provider Batch ID: | D00176632 |
Salt: | 101 |
Molecular Formula: | C20H16F3N7O2 |
Molecular Weight: | 443.4 |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2015-08-27 |
Most Recent Update: | 2016-08-11 |
HMS QC Testing Events for HMSL10455-101-1:
Date | HMS QC Outcome | Comment | Files |
---|---|---|---|
08/31/2015 | PASS | HMSL10455-101-1_LCMS.pdf |
(equivalent to 100 nM ≤ Kd < 1µM)