VX-11e - Small Molecule (ID:10422-101)

HMS LINCS ID: 10422-101
Name: VX-11e
Alternative Names:
LINCS ID:
PubChem CID: 11634725
ChEBI ID:
ChEMBL ID:
Molecular Mass: 499.10
InChi: InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
InChi Key: WUTVMXLIGHTZJC-OAQYLSRUSA-N
SMILES: CC1=CN=C(NC2=C(Cl)C=C(F)C=C2)N=C1C3=CNC(C(N[C@@H](C4=CC(Cl)=CC=C4)CO)=O)=C3
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)
MAPK1
2
(equivalent to 100 nM ≤ Kd < 1µM)
AURKA, CDK2
3
(equivalent to 1µM ≤ Kd < 10 µM)
AKT3, FLT3, IKBKE, IRAK4, ITK, JAK2, JAK3, KDR, MAP2K1, MAP3K14, MAP3K3, MAP3K7, MAP3K8, MAPK10, MAPK14, MET, PLK1, ROCK1, SRC, SYK, ZAP70
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

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10422-101-1 MedChem Express 08581