Compound Detail

CHEMBL247455

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Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL247455
Phase	Preclinical
Structure Type	MOL
InChI Key	AWJUKDQERXTXHY-DEOSSOPVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

606.7

MW (Da)

3.77

ALogP

HBA

HBD

140.5

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
C-C chemokine receptor type 2 CHEMBL4015	IC50	7.82	7.2267	15.0	3
C-C chemokine receptor type 3 CHEMBL3473	IC50	5.0	5.0	10000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
C-C chemokine receptor type 2	IC50	=	15.0	nM	7.82	Displacement of [125]MCP1 from CCR2 in human PBMCs	17720492
C-C chemokine receptor type 2	IC50	=	58.0	nM	7.24	Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced...	17720492
C-C chemokine receptor type 2	IC50	=	240.0	nM	6.62	Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induce...	17720492
C-C chemokine receptor type 3	IC50	=	10000.0	nM	5.0	Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells	17720492

PubMed	DOI	Target Context	# Activities
17720492	10.1016/j.bmcl.2007.07.028	C-C chemokine receptor type 2	3
17720492	10.1016/j.bmcl.2007.07.028	C-C chemokine receptor type 3	1
17720492	10.1016/j.bmcl.2007.07.028	C-C chemokine receptor type 1	1

Data from ChEMBL 36 via Core Engine