XMD13-2 - Small Molecule (ID:10088-101)

HMS LINCS ID: 10088-101
Name: XMD13-2
Alternative Names:
LINCS ID: LSM-6296
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 360.16
InChi: InChI=1S/C21H20N4O2/c26-20(12-4-5-12)23-19-17-9-6-14(11-18(17)24-25-19)13-2-1-3-15(10-13)21(27)22-16-7-8-16/h1-3,6,9-12,16H,4-5,7-8H2,(H,22,27)(H2,23,24,25,26)
InChi Key: WBLZCNIEEVRRTG-UHFFFAOYSA-N
SMILES: O=C(C1CC1)NC2=NNC3=CC(C4=CC(C(NC5CC5)=O)=CC=C4)=CC=C32
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)
RIPK1
10
(confirmed non-binding)
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Batch Information for HMSL10088-101-1:

HMS LINCS Batch ID: 10088-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID: XMD13-2-1
Salt: 101
Molecular Formula: C21H20N4O2
Molecular Weight: 360.41
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10088-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10088-101-1_LCMS.pdf
06/06/2011 PASS None