XMD16-144 - Small Molecule (ID:10091-101)

HMS LINCS ID: 10091-101
Name: XMD16-144
Alternative Names:
LINCS ID: LSM-43287
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 457.22
InChi: InChI=1S/C25H27N7O2/c1-30(2)14-8-13-22(33)27-17-9-7-10-18(15-17)28-25-26-16-21-23(29-25)31(3)20-12-6-5-11-19(20)24(34)32(21)4/h5-13,15-16H,14H2,1-4H3,(H,27,33)(H,26,28,29)/b13-8+
InChi Key: XGICKGXGLUYWDW-MDWZMJQESA-N
SMILES: O=C1C2=C(C=CC=C2)N(C)C3=NC(NC4=CC(NC(/C=C/CN(C)C)=O)=CC=C4)=NC=C3N1C
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2018-03-30

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, AURKA, AURKB, CSF1R, MAP3K2, MAP3K3, MAPK7, PIK3CG, PLK4, STK3, TAOK2, TAOK3
10
(confirmed non-binding)
(Click to show)

Batch Information for HMSL10091-101-1:

HMS LINCS Batch ID: 10091-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID: XMD16-144-1
Salt: 101
Molecular Formula: C25H27N7O2
Molecular Weight: 457.53
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10091-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10091-101-1_LCMS.pdf
06/06/2011 PASS None