I-BET151 - Small Molecule (ID:10331-101)

HMS LINCS ID: 10331-101
Name: I-BET151
Alternative Names: GSK1210151A
LINCS ID: LSM-6335
PubChem CID: 52912189
ChEBI ID:
ChEMBL ID:
Molecular Mass: 415.16
InChi: InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
InChi Key: VUVUVNZRUGEAHB-CYBMUJFWSA-N
SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)[C@H](C)C5=CC=CC=N5)OC
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)
BRD2, BRD3
2
(equivalent to 100 nM ≤ Kd < 1µM)
BRD4
3
(equivalent to 1µM ≤ Kd < 10 µM)
CREBBP, PDE4B
10
(confirmed non-binding)

Batch Information for HMSL10331-101-1:

HMS LINCS Batch ID: 10331-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HY-13235-20130409
Salt: 101
Molecular Formula: C23H21N5O3
Molecular Weight: 415.44
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2013-05-08
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10331-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10331-101-1_LCMS.pdf
05/13/2013 PASS None