Compound Detail

CHEMBL5177368

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Cc1nc(NC(=O)NC(=O)C2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5177368
Phase	Preclinical
Structure Type	MOL
InChI Key	NCPIMEOPSFOWKB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.5

MW (Da)

4.21

ALogP

HBA

HBD

111.0

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 8.59

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NFS-60 CHEMBL614199	IC50	8.59	8.59	2.6	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	8.41	8.41	3.9	1
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	8.29	8.29	5.1	1
Unchecked CHEMBL612545	IC50	8.01	8.01	9.8	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	7.57	7.57	27.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	6.1	6.1	790.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NFS-60	IC50	=	2.6	nM	8.59	Antiproliferative activity against CSF1-treated mouse NFS-60 cells measured afte...	35961461
Macrophage colony-stimulating factor 1 receptor	IC50	=	3.9	nM	8.41	Inhibition of N-terminal His6-tagged recombinant human CSF1R (542 to 919 residue...	35961461
Platelet-derived growth factor receptor alpha	IC50	=	5.1	nM	8.29	Inhibition of N-terminal GST-tagged PDGFRalpha (unknown origin) (550 to 1089 res...	35961461
Unchecked	IC50	=	9.8	nM	8.01	Inhibition of His-Glu tagged recombinant human KIT Q694-T753 deletion mutant (56...	35961461
Platelet-derived growth factor receptor beta	IC50	=	27.0	nM	7.57	Inhibition of N-terminal GST-tagged PDGFRbeta (unknown origin) (557 to 1106 resi...	35961461
Receptor-type tyrosine-protein kinase FLT3	IC50	=	790.0	nM	6.1	Inhibition of His-tagged recombinant human FLT3 (564 to 958 residues) measured b...	35961461

PubMed	DOI	Target Context	# Activities
35961461	10.1016/j.bmcl.2022.128929	Macrophage colony-stimulating factor 1 receptor	1
35961461	10.1016/j.bmcl.2022.128929	Receptor-type tyrosine-protein kinase FLT3	1
35961461	10.1016/j.bmcl.2022.128929	Platelet-derived growth factor receptor alpha	1
35961461	10.1016/j.bmcl.2022.128929	Platelet-derived growth factor receptor beta	1
35961461	10.1016/j.bmcl.2022.128929	Unchecked	1
35961461	10.1016/j.bmcl.2022.128929	Vascular endothelial growth factor receptor 2	1
35961461	10.1016/j.bmcl.2022.128929	Hepatocyte growth factor receptor	1
35961461	10.1016/j.bmcl.2022.128929	NFS-60	1

Data from ChEMBL 36 via Core Engine