XMD11-50 - Small Molecule (ID:10086-101)

HMS LINCS ID: 10086-101
Name: XMD11-50
Alternative Names: LRRK2-in-1
LINCS ID: LSM-1086
PubChem CID: 46843906
ChEBI ID:
ChEMBL ID:
Molecular Mass: 570.31
InChi: InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
InChi Key: IWMCPJZTADUIFX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC
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)
LRRK2
2
(equivalent to 100 nM ≤ Kd < 1µM)
AURKA, CAMKK2, CHEK2, MAPK11, MAPK7, PLK4, PTK6, STK33
10
(confirmed non-binding)
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Batch Information for HMSL10086-101-1:

HMS LINCS Batch ID: 10086-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID: XMD11-50-1
Salt: 101
Molecular Formula: C31H38N8O3
Molecular Weight: 570.69
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10086-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10086-101-1_LCMS.pdf
06/06/2011 PASS None