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
2
(equivalent to 100 nM ≤ Kd < 1µM)
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