Compound Detail

CHEMBL265432

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CN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(C3=CCCCC3)c2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL265432
Phase	Preclinical
Structure Type	MOL
InChI Key	RHAURHVPLMBUOW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.5

MW (Da)

4.11

ALogP

HBA

HBD

72.5

PSA (Å²)

0.85

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	7.75	7.75	18.0	2
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	6.82	6.82	150.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage colony-stimulating factor 1 receptor	IC50	=	18.0	nM	7.75	Inhibition of FMS	18495479
Macrophage colony-stimulating factor 1 receptor	IC50	=	18.0	nM	7.75	Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate aft...	22039836
Mast/stem cell growth factor receptor Kit	IC50	=	150.0	nM	6.82	Fluorescence Polarization Kinase Assay: The compounds of the present invention a...	-
Mast/stem cell growth factor receptor Kit	IC50	=	150.0	nM	6.82	Fluorescence Polarization Kinase Assay: The compounds of the present invention a...	-

PubMed	DOI	Target Context	# Activities
18495479	10.1016/j.bmcl.2008.04.059	Macrophage colony-stimulating factor 1 receptor	1
22039836	10.1021/jm200900q	Macrophage colony-stimulating factor 1 receptor	1

Data from ChEMBL 36 via Core Engine