MLN8054 - Small Molecule (ID:10066-101)

HMS LINCS ID: 10066-101
Name: MLN8054
Alternative Names:
LINCS ID: LSM-1066
PubChem CID: 11712649
ChEBI ID:
ChEMBL ID: 259084
Molecular Mass: 476.09
InChi: InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
InChi Key: HHFBDROWDBDFBR-UHFFFAOYSA-N
SMILES: C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=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)
Aurka, AURKA, AURKB, AURKC, BLK, STK17B
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, AIM1, Aurkb, AXL, Crybg1, EPHA2, EPHA4, EPHA6, EPHB1, EPHB4, FGR, GABRA1, LCK, MERTK, PLK4, SRC, STK17A, TEC, TEK, YES1
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL2, BMX, BTK, CHUK, CLK2, CLK3, CSK, CSNK1A1, DAPK2, DDR1, DYRK1A, EGFR, EPHA1, EPHA3, EPHA5, EPHA7, EPHB3, ERBB4, FER, FGFR1, FGFR2, FGFR3, FLG, FLT1, FLT3, FLT4, FYN, GRK5, HCK, IRAK3, LYN, MAP4K2, MAPK13, MST1R, PDGFRA, PRKCG, PRKCZ, PTK2B, ROCK1, ROCK2, ROS1, RPS6KA1, SGK2, SIK1, SIK1B, STK10, TAOK1, TBK1, TIE1, TNK1, TYRO3
10
(confirmed non-binding)
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Datasets:

HMS Dataset ID Dataset Title HMS Dataset Type
20000
Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library.
Analysis
20003
Tang Mitosis/Apoptosis ver. II
 Microscopy/Imaging
20042
MLN8054 KINOMEscan
 KINOMEscan

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10066-101-1 Haoyuan chemexpress HM-048_9-20100712
10066-101-2 Haoyuan chemexpress HM-048_9-20100712