Compound Detail

CHEMBL2324726

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O=C1CCC(N2Cc3c(O)cccc3C2=O)C(=O)N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2324726
Phase	Preclinical
Structure Type	MOL
InChI Key	HGPRKOYQOBYISD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

260.2

MW (Da)

0.15

ALogP

HBA

HBD

86.7

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.26

EC50 1 meas. best 7.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
T-cell CHEMBL614309	EC50	7.35	7.35	45.0	1
PBMC CHEMBL613107	IC50	7.26	7.26	55.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.75	6.75	180.0	1
Protein cereblon CHEMBL3763008	IC50	6.63	6.63	234.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
T-cell	EC50	=	45.0	nM	7.35	Inhibition of IL-2 production in human T cells measured after 2 to 3 days by ELI...	23168019
PBMC	IC50	=	55.0	nM	7.26	Inhibition of TNF-alpha production in LPS-stimulated human PBMC preincubated for...	23168019
NON-PROTEIN TARGET	IC50	=	180.0	nM	6.75	Antiproliferative activity against human NAMALWA cells assessed as inhibition of...	23168019
Protein cereblon	IC50	=	234.0	nM	6.63	Displacement of fluorescent tracer from NanoLuc-tagged CRBN (unknown origin) by ...	36970148

PubMed	DOI	Target Context	# Activities
36970148	10.1039/d2md00347c	Cereblon/Ikaros	2
36970148	10.1039/d2md00347c	Protein cereblon/GSPT1	2
23168019	10.1016/j.bmcl.2012.10.071	NON-PROTEIN TARGET	1
23168019	10.1016/j.bmcl.2012.10.071	T-cell	1
23168019	10.1016/j.bmcl.2012.10.071	PBMC	1
36970148	10.1039/d2md00347c	Protein cereblon	1

Data from ChEMBL 36 via Core Engine