Entinostat - Small Molecule (ID:10311-101)

HMS LINCS ID: 10311-101
Name: Entinostat
Alternative Names: MS-275; MS-27-275
LINCS ID: LSM-4811
PubChem CID: 4261
ChEBI ID:
ChEMBL ID:
Molecular Mass: 376.15
InChi: InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
InChi Key: INVTYAOGFAGBOE-UHFFFAOYSA-N
SMILES: C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=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
2
(equivalent to 100 nM ≤ Kd < 1µM)
HDAC1, HDAC2, HDAC3
3
(equivalent to 1µM ≤ Kd < 10 µM)
F3, HDAC10, HDAC11, HDAC4, HDAC5, HDAC7, HDAC8, HDAC9
10
(confirmed non-binding)
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Batch Information for HMSL10311-101-1:

HMS LINCS Batch ID: 10311-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HY-12163-20130407
Salt: 101
Molecular Formula: C21H20N4O3
Molecular Weight: 376.41
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2013-05-08
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10311-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10311-101-1_LCMS.pdf
05/13/2013 PASS None