Compound Detail

CHEMBL492809

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CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL492809
Phase	Preclinical
Structure Type	MOL
InChI Key	FIJWNTPHEHDJQG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

524.6

MW (Da)

4.11

ALogP

HBA

HBD

101.4

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 9.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	9.4	9.4	0.4	1
Macrophage colony-stimulating factor 1 receptor CHEMBL5570	IC50	9.22	9.22	0.6	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	8.22	7.96	6.0	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	8.22	7.66	6.0	2
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	6.82	6.82	150.0	1
High affinity nerve growth factor receptor CHEMBL2815	IC50	6.3	6.3	500.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	5.85	5.85	1400.0	1
Insulin receptor CHEMBL1981	IC50	5.43	5.43	3700.0	1

Parameter	Value	Units	Species
CL	11.0	mL.min-1.kg-1	Rattus norvegicus
CL	48.7	mL.min-1.kg-1	Macaca mulatta
CL	30.0	mL.min-1.kg-1	Canis lupus familiaris
CL	34.0	mL.min-1.kg-1	Mus musculus
Cmax	1600.0	nM	Rattus norvegicus
Cmax	1600.0	nM	Mus musculus
Cmax	120.0	nM	Canis lupus familiaris
Cmax	60.0	nM	Macaca mulatta
F	100.0	%	Rattus norvegicus
F	51.0	%	Mus musculus
F	33.0	%	Canis lupus familiaris
F	16.7	%	Macaca mulatta
T1/2	6.9	hr	Rattus norvegicus
T1/2	4.6	hr	Rattus norvegicus
T1/2	9.3	hr	Canis lupus familiaris
T1/2	6.6	hr	Macaca mulatta
T1/2	1.8	hr	Mus musculus
T1/2	4.0	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage colony-stimulating factor 1 receptor	IC50	=	0.4	nM	9.4	Inhibition of Fms by fluorescence polarization competition immunoassay	19193011
Macrophage colony-stimulating factor 1 receptor	IC50	=	0.6	nM	9.22	Inhibition of Fms-mediated CSF1-stimulated mouse BMDM proliferation by bromodeox...	19193011
Mast/stem cell growth factor receptor Kit	IC50	=	6.0	nM	8.22	Inhibition of KIT by fluorescence polarization competition immunoassay	19193011
Receptor-type tyrosine-protein kinase FLT3	IC50	=	6.0	nM	8.22	Inhibition of FLT3 by fluorescence polarization competition immunoassay	19193011
Mast/stem cell growth factor receptor Kit	IC50	=	20.0	nM	7.7	Inhibition of KIT-mediated proliferation of human M-07e cells after 72 hrs	19193011
Receptor-type tyrosine-protein kinase FLT3	IC50	=	80.0	nM	7.1	Inhibition of FLT3-mediated proliferation of human MV-4-11 cells after 72 hrs	19193011
Platelet-derived growth factor receptor beta	IC50	=	150.0	nM	6.82	Inhibition of PDGFRbeta by fluorescence polarization competition immunoassay	19193011
High affinity nerve growth factor receptor	IC50	=	500.0	nM	6.3	Inhibition of TrkA by fluorescence polarization competition immunoassay	19193011
Proto-oncogene tyrosine-protein kinase Src	IC50	=	1400.0	nM	5.85	Inhibition of Src by fluorescence polarization competition immunoassay	19193011
Insulin receptor	IC50	=	3700.0	nM	5.43	Inhibition of IRKbeta by fluorescence polarization competition immunoassay	19193011

PubMed	DOI	Target Context	# Activities
19193011	10.1021/jm801406h	Rattus norvegicus	23
19193011	10.1021/jm801406h	Mus musculus	8
19193011	10.1021/jm801406h	Canis familiaris	5
19193011	10.1021/jm801406h	Rhesus monkey	5
19193011	10.1021/jm801406h	NON-PROTEIN TARGET	2
19193011	10.1021/jm801406h	Receptor-type tyrosine-protein kinase FLT3	2
19193011	10.1021/jm801406h	Mast/stem cell growth factor receptor Kit	2
19193011	10.1021/jm801406h	Macrophage colony-stimulating factor 1 receptor	2
19193011	10.1021/jm801406h	Liver microsomes	2
19193011	10.1021/jm801406h	ADMET	2
19193011	10.1021/jm801406h	Platelet-derived growth factor receptor beta	1
19193011	10.1021/jm801406h	High affinity nerve growth factor receptor	1
19193011	10.1021/jm801406h	Proto-oncogene tyrosine-protein kinase Src	1
19193011	10.1021/jm801406h	Insulin receptor	1
19193011	10.1021/jm801406h	Tyrosine-protein kinase receptor UFO	1

Data from ChEMBL 36 via Core Engine