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Chemical structure of I-BET151 (GSK1210151A)

GC15747

I-BET151 (GSK1210151A)

Also known as 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one

I-BET151 (GSK1210151A) (GSK1210151A) is a BET bromodomain inhibitor which inhibits BRD4, BRD2, and BRD3 with pIC50 of 6·1, 6·3, and 6·6, respectively

ChemicalCAS1300031-49-5MW415.44FormulaC23H21N5O3
CAS number
1300031-49-5
Molecular weight
415.44
Formula
C23H21N5O3
Solubility
≥ 41·5mg/mL in DMSO
InChIKey
VUVUVNZRUGEAHB-CYBMUJFWSA-N
Catalogue number
GC15747
Brand
GLPBIO
Computed properties PubChem CID 52912189 · XLogP 2.7 · TPSA 93.4 Ų · H-bond donors 1
XLogP
2.7
TPSA
93.4 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

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

Computed descriptors from PubChem (CID 52912189), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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