Sotrastaurin - Small Molecule (ID:10408-101)

HMS LINCS ID: 10408-101
Name: Sotrastaurin
Alternative Names: AEB071
LINCS ID:
PubChem CID: 10296883
ChEBI ID:
ChEMBL ID:
Molecular Mass: 438.18
InChi: InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
InChi Key: OAVGBZOFDPFGPJ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65
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)
CAMK2D, CAMK2G, MINK1, PIM2, PLK1, PRKACA, PRKCA, PRKCB, PRKCD, PRKCE, PRKCG, PRKCH, PRKCQ
2
(equivalent to 100 nM ≤ Kd < 1µM)
FER, GRK5, GSK3A, GSK3B, MAP4K4, MAP4K5, MST1R, PIM1, PIM3, PKN2, PRKAA1, PRKCI, PRKG1, RPS6KA3, RPS6KB1, SGK2, SLK, STK3
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL1, ACVR1, AIM1, AKT1, AKT2, ALK, AURKA, AURKB, AXL, BLK, BRSK1, BTK, CAMK1, CAMK1D, CAMK2A, CAMK2B, CCNA1, CCNA2, CDC7, CDK1, CDK2, CDK5, CDK7, CDK8, CDK9, CHEK1, CHEK2, CLK2, CLK4, CSF1R, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, DAPK3, DYRK1A, DYRK1B, DYRK3, DYRK4, EGFR, EPHA2, ERBB2, ERBB4, FES, FGFR1, FGFR3, FLG, FLT1, FLT3, FLT4, FRK, FYN, HIPK2, HIPK4, IGF1R, IKBKE, INSR, IRAK1, ITK, JAK1, JAK2, JAK3, KDR, KIT, LCK, LIMK1, LRRK2, LTK, LYN, MAP2K1, MAP2K2, MAP4K2, MAPK1, MAPK12, MAPK13, MAPK14, MAPK8, MAPK9, MAPKAPK2, MAPKAPK5, MARK3, MATK, MELK, MET, NEK2, NEK4, NTRK1, NTRK2, NTRK3, PAK4, PDGFRA, PDGFRB, PDK1, PDPK1, PHKG2, PLK3, PLK4, PRKCZ, PRKD3, PRKG2, PRKX, PTK2, RET, ROCK1, ROCK2, ROS1, SRC, SRMS, SRPK1, STK17A, SYK, TAOK1, TBK1, TNK2, TSSK1B, TSSK2, TYK2, TYRO3
10
(confirmed non-binding)
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Batch Information for HMSL10408-101-1:

HMS LINCS Batch ID: 10408-101-1
Provider: MedChem Express
Provider Batch ID: 02673
Salt: 101
Molecular Formula: C25H22N6O2
Molecular Weight: 438.48
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-08-27
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10408-101-1:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10408-101-1_LCMS.pdf