Compound Detail

CHEMBL3355961

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CCOC(=O)c1cccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3355961
Phase	Preclinical
Structure Type	MOL
InChI Key	MFNWFHKBFKEKAN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

563.7

MW (Da)

7.40

ALogP

HBA

HBD

47.4

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 7.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
C-C chemokine receptor type 3 CHEMBL3473	Ki	7.22	7.22	60.0	1
Probable C-C chemokine receptor type 3 CHEMBL3406	Ki	6.39	6.39	410.0	1
C-C chemokine receptor type 3 CHEMBL3928	Ki	5.19	5.19	6400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
C-C chemokine receptor type 3	Ki	=	60.0	nM	7.22	Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells	25497216
Probable C-C chemokine receptor type 3	Ki	=	410.0	nM	6.39	Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells	25497216
C-C chemokine receptor type 3	Ki	=	6400.0	nM	5.19	Displacement of [125J]-eotaxin-1 from rat CCR3 transfected in CHO cells	25497216

PubMed	DOI	Target Context	# Activities
25497216	10.1016/j.bmcl.2014.11.063	C-C chemokine receptor type 3	2
25497216	10.1016/j.bmcl.2014.11.063	Unchecked	2
25497216	10.1016/j.bmcl.2014.11.063	Probable C-C chemokine receptor type 3	1

Data from ChEMBL 36 via Core Engine