Compound Detail

CHEMBL2324715

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Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2324715
Phase	Preclinical
Structure Type	MOL
InChI Key	PUEJOCVNXNAMGP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

272.3

MW (Da)

0.40

ALogP

HBA

HBD

83.5

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.0

EC50 1 meas. best 7.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
T-cell CHEMBL614309	EC50	7.24	7.24	57.0	1
PBMC CHEMBL613107	IC50	7.0	7.0	100.0	1
Protein cereblon/DNA damage-binding protein 1 CHEMBL4630734	IC50	6.83	6.83	147.0	1

Parameter	Value	Units	Species
AUC	2200.0	ng.hr.mL-1	Rattus norvegicus
Cmax	1616.1	nM	Rattus norvegicus
Tmax	2.5	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
T-cell	EC50	=	57.0	nM	7.24	Inhibition of IL-2 production in human T cells measured after 2 to 3 days by ELI...	23168019
PBMC	IC50	=	100.0	nM	7.0	Inhibition of TNF-alpha production in LPS-stimulated human PBMC preincubated for...	23168019
Protein cereblon/DNA damage-binding protein 1	IC50	=	147.0	nM	6.83	CRBN-DDB1 ligand-displacement AlphaScreen Assay: A thalidomide competition Alpha...	-

PubMed	DOI	Target Context	# Activities
23168019	10.1016/j.bmcl.2012.10.071	Rattus norvegicus	3
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

Data from ChEMBL 36 via Core Engine