Barasertib - Small Molecule (ID:10426-101)

HMS LINCS ID: 10426-101
Name: Barasertib
Alternative Names: AZD1152
LINCS ID:
PubChem CID: 11497983
ChEBI ID:
ChEMBL ID:
Molecular Mass: 587.21
InChi: InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
InChi Key: GBJVVSCPOBPEIT-UHFFFAOYSA-N
SMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOP(=O)(O)O
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)
AIM1, AURKB, AURKC, KIT
2
(equivalent to 100 nM ≤ Kd < 1µM)
FLT3, KDR, PDGFRA, PDGFRB, RET
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL1, ACVR1, ALK, AURKA, BTK, CAMK1D, CAMK2A, CAMKK2, CDK5, CDK7, CDK8, CDK9, CHEK1, CLK2, CLK4, CSF1R, CSNK1A1, DAPK3, DYRK1A, DYRK1B, FGFR1, FLG, FLT1, FYN, GRK5, GSK3A, GSK3B, HCK, IGF1R, IKBKE, JAK2, JAK3, LCK, LIMK1, LRRK2, LTK, MAP2K1, MAP2K2, MAP3K10, MAP4K2, MAP4K4, MAPK10, MAPK14, MAPK8, MAPK9, MARK3, MARK4, MELK, MET, MST1R, NEK2, NTRK1, NTRK2, NTRK3, PAK4, PIM1, PRKAA1, PRKACA, PRKCQ, PRKD3, PRKX, PTK2, ROCK1, ROCK2, ROS1, RPS6KA3, SGK2, SIK2, STK3, TAOK1, TBK1, TNK2, TYRO3

Batch Information for HMSL10426-101-1:

HMS LINCS Batch ID: 10426-101-1
Provider: MedChem Express
Provider Batch ID: 13477
Salt: 101
Molecular Formula: C26H31FN7O6P
Molecular Weight: 587.54
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-08-27
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10426-101-1:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10426-101-1_NMR.pdf,
HMSL10426-101-1_LCMS.pdf