Compound Detail

CHEMBL3660796

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CCOC(=O)CN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3660796
Phase	Preclinical
Structure Type	MOL
InChI Key	DLFJAVXYNBRXOG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

532.7

MW (Da)

4.54

ALogP

HBA

HBD

114.3

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	8.7	8.7	2.0	3
Macrophage colony-stimulating factor 1 receptor CHEMBL5570	IC50	8.7	8.17	2.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage colony-stimulating factor 1 receptor	IC50	=	2.0	nM	8.7	Fluorescence Polarization Competition Assay: A fluorescence polarization competi...	-
Macrophage colony-stimulating factor 1 receptor	IC50	=	2.0	nM	8.7	Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c...	-
Macrophage colony-stimulating factor 1 receptor	IC50	=	2.0	nM	8.7	Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl...	-
Macrophage colony-stimulating factor 1 receptor	IC50	=	2.0	nM	8.7	Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c...	-
Macrophage colony-stimulating factor 1 receptor	IC50	=	23.0	nM	7.64	Inhibition of c-fms in mouse bone marrow macrophages assessed as reduction in re...	-

Data from ChEMBL 36 via Core Engine